1TF6
CO-CRYSTAL STRUCTURE OF XENOPUS TFIIIA ZINC FINGER DOMAIN BOUND TO THE 5S RIBOSOMAL RNA GENE INTERNAL CONTROL REGION
X-RAY DIFFRACTION
Crystallization
Crystalization Experiments | ||||
---|---|---|---|---|
ID | Method | pH | Temperature | Details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | COMPLEX WAS CRYSTALLIZED FROM 22.5% PEG 4000, 165 MM NACL, 35 MM SODIUM ACETATE, 3.2 MM DTT, 9.2% (VOL/VOL) GLYCEROL, 1.8 MM NAN3, 1.8 MM CADAVERINE-2HCL, 5.5 MM TRIS-HCL, PH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291.00K |
Crystal Properties | |
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Matthews coefficient | Solvent content |
3.8 | 70 |
Crystal Data
Unit Cell | |
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Length ( Å ) | Angle ( ˚ ) |
a = 64.18 | α = 90.07 |
b = 64.712 | β = 92.98 |
c = 78.035 | γ = 102.95 |
Symmetry | |
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Space Group | P 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 | 113 | IMAGE PLATE | MARRESEARCH | MIRRORS | 1996-10-03 | M | SINGLE WAVELENGTH |
Radiation Source | |||||
---|---|---|---|---|---|
ID # | Source | Type | Wavelength List | Synchrotron Site | Beamline |
1 | SYNCHROTRON | NSLS BEAMLINE X12B | NSLS | X12B |
Data Collection
Overall | |||||||||||||||||||
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ID # | Resolution (High) | Resolution (Low) | Percent Possible (Observed) | R Merge I (Observed) | R Sym 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 | 3 | 25 | 77.4 | 0.128 | 0.06 | 6.7 | 19034 | -3 | 39.7 |
Refinement
Statistics | |||||||||||||||||||
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Diffraction ID | Structure Solution Method | Cross Validation method | Resolution (High) | Resolution (Low) | Cut-off Sigma (F) | 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 | MIR | THROUGHOUT | 3.1 | 8 | 2 | 17014 | 497 | 81.4 | 0.308 | 0.308 | 0.363 | RANDOM | 65 |
Temperature Factor Modeling | ||||||
---|---|---|---|---|---|---|
Anisotropic B[1][1] | Anisotropic B[1][2] | Anisotropic B[1][3] | Anisotropic B[2][2] | Anisotropic B[2][3] | Anisotropic B[3][3] | |
17.26 | 4.52 | -0.72 | -5.82 | 1.02 | -11.4 |
RMS Deviations | |
---|---|
Key | Refinement Restraint Deviation |
x_dihedral_angle_d | 22.9 |
x_scangle_it | 4.48 |
x_mcangle_it | 4.45 |
x_scbond_it | 2.49 |
x_mcbond_it | 2.47 |
x_improper_angle_d | 0.94 |
x_angle_deg | 0.9 |
x_bond_d | 0.005 |
x_bond_d_na | |
x_bond_d_prot |
Non-Hydrogen Atoms Used in Refinement | |
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Non-Hydrogen Atoms | Number |
Protein Atoms | 2953 |
Nucleic Acid Atoms | 2530 |
Solvent Atoms | |
Heterogen Atoms | 12 |
Software
Software | |
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Software Name | Purpose |
CCP4 | model building |
X-PLOR | refinement |
DENZO | data reduction |
SCALEPACK | data scaling |
CCP4 | phasing |
RAVE | phasing |
DM | phasing |