3ZN6
VP16-VP17 complex, a complex of the two major capsid proteins of bacteriophage P23-77
X-RAY DIFFRACTION
Crystallization
Crystalization Experiments | ||||
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ID | Method | pH | Temperature | Details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | SITTING DROP VAPOUR DIFFUSION SYSTEM IN A 96-WELL PLATE, 100 NL OF PROTEIN MIXTURE CONSISTING OF VP16 AND VP17 (1.7 MG/ML AND 2 MG/ML, RESPECTIVELY, IN 20 MM TRIS-BUFFER PH 7.4) MIXED IN 1:1 MOLAR RATIO, WAS MIXED WITH 100 NL SOLUTION CONSISTING OF 1.1 M DIAMMONIUM TARTRATE PH 7. ONE WELL-DIFFRACTING CRYSTAL THAT WAS USED FOR DATA COLLECTION TOOK THREE MONTHS TO GROW. |
Crystal Properties | |
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Matthews coefficient | Solvent content |
2.07 | 40.5 |
Crystal Data
Unit Cell | |
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Length ( Å ) | Angle ( ˚ ) |
a = 76.78 | α = 90 |
b = 69.61 | β = 104.99 |
c = 81.62 | γ = 90 |
Symmetry | |
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Space Group | C 1 2 1 |
Diffraction
Diffraction Experiment | ||||||||||||||
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ID # | Crystal ID | Scattering Type | Data Collection Temperature | Detector | Detector Type | Details | Collection Date | Monochromator | Protocol | |||||
1 | 1 | x-ray | 100 | PIXEL | DECTRIS PILATUS 6M | 2010-10-10 | M | SINGLE WAVELENGTH |
Radiation Source | |||||
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ID # | Source | Type | Wavelength List | Synchrotron Site | Beamline |
1 | SYNCHROTRON | DIAMOND BEAMLINE I24 | Diamond | I24 |
Data Collection
Overall | |||||||||||||||||||
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ID # | Resolution (High) | Resolution (Low) | Percent Possible (Observed) | R Merge I (Observed) | Net I Over Average Sigma (I) | Redundancy | Number Reflections (All) | Number Reflections (Observed) | Observed Criterion Sigma (F) | Observed Criterion Sigma (I) | B (Isotropic) From Wilson Plot | ||||||||
1 | 1.53 | 39.6 | 98.4 | 0.06 | 17.7 | 6.3 | 61458 | 23.42 |
Highest Resolution Shell | |||||||||||||||||||
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ID # | Resolution (High) | Resolution (Low) | Percent Possible (All) | Percent Possible (Observed) | R Merge I (Observed) | Mean I Over Sigma (Observed) | Redundancy | Number Unique Reflections (All) | |||||||||||
1 | 1.53 | 1.57 | 83.3 | 1.02 | 2.9 | 4.4 |
Refinement
Statistics | |||||||||||||||||||
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Diffraction ID | Structure Solution Method | Cross Validation method | Starting model | Resolution (High) | Resolution (Low) | Number Reflections (Observed) | Number Reflections (R-Free) | Percent Reflections (Observed) | R-Factor (Observed) | R-Work | R-Free | R-Free Selection Details | Mean Isotropic B | ||||||
X-RAY DIFFRACTION | MOLECULAR REPLACEMENT | THROUGHOUT | PDB ENTRIES 3ZMO AND 3ZMN | 1.53 | 22.4 | 61425 | 3110 | 98.1 | 0.173 | 0.1717 | 0.1974 | RANDOM | 28.93 |
Temperature Factor Modeling | ||||||
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Anisotropic B[1][1] | Anisotropic B[1][2] | Anisotropic B[1][3] | Anisotropic B[2][2] | Anisotropic B[2][3] | Anisotropic B[3][3] | |
-1.0078 | -2.7567 | -1.256 | 2.2638 |
RMS Deviations | |
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Key | Refinement Restraint Deviation |
t_other_torsion | 14.6 |
t_omega_torsion | 4.1 |
t_angle_deg | 1.07 |
t_bond_d | 0.01 |
t_dihedral_angle_d | |
t_incorr_chiral_ct | |
t_pseud_angle | |
t_trig_c_planes | |
t_gen_planes | |
t_it |
Non-Hydrogen Atoms Used in Refinement | |
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Non-Hydrogen Atoms | Number |
Protein Atoms | 2878 |
Nucleic Acid Atoms | |
Solvent Atoms | 395 |
Heterogen Atoms | 2 |
Software
Software | |
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Software Name | Purpose |
BUSTER | refinement |
xia2 | data reduction |
XDS | data reduction |
xia2 | data scaling |
PHASER | phasing |