3W7Z
1.15A structure of human 2Zn insulin at 293K
X-RAY DIFFRACTION
Crystallization
Crystalization Experiments | ||||
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ID | Method | pH | Temperature | Details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.67 | 293 | 10mg/ml protein, 0.1M Sodium Citrate, 22%(v/v) DMF, 0.08%(w/v) Zinc chloride, pH 8.67, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystal Properties | |
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Matthews coefficient | Solvent content |
1.93 | 36.41 |
Crystal Data
Unit Cell | |
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Length ( Å ) | Angle ( ˚ ) |
a = 82.7 | α = 90 |
b = 82.7 | β = 90 |
c = 34.2 | γ = 120 |
Symmetry | |
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Space Group | H 3 |
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 | 293 | IMAGE PLATE | Fully automatic high speed Weissenberg data collection system called Galaxy | The vertically focusing 1m long bent mirror of Pt-coated fused silica is 21m from the SR source point and 7m from the focus point | 2002-04-13 | M | SINGLE WAVELENGTH |
Radiation Source | |||||
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ID # | Source | Type | Wavelength List | Synchrotron Site | Beamline |
1 | SYNCHROTRON | PHOTON FACTORY BEAMLINE BL-6C | 1.00 | Photon Factory | BL-6C |
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 | 41.5 | 0.066 | 8.4 | 46687 |
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 | 3W7Y | 1.15 | 20 | 29333 | 1556 | 99.62 | 0.14767 | 0.14509 | 0.1947 | RANDOM | 27.135 |
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] | |
0.03 | 0.03 | 0.03 | -0.09 |
RMS Deviations | |
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Key | Refinement Restraint Deviation |
r_sphericity_free | 44.099 |
r_dihedral_angle_2_deg | 29.634 |
r_sphericity_bonded | 24.529 |
r_dihedral_angle_3_deg | 10.668 |
r_dihedral_angle_4_deg | 7.743 |
r_dihedral_angle_1_deg | 5.386 |
r_rigid_bond_restr | 1.492 |
r_angle_refined_deg | 1.057 |
r_chiral_restr | 0.082 |
r_bond_refined_d | 0.006 |
Non-Hydrogen Atoms Used in Refinement | |
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Non-Hydrogen Atoms | Number |
Protein Atoms | 810 |
Nucleic Acid Atoms | |
Solvent Atoms | 258 |
Heterogen Atoms | 2 |
Software
Software | |
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Software Name | Purpose |
WEIS | data scaling |
CCP4 | model building |
REFMAC | refinement |
WEIS | data reduction |
CCP4 | phasing |