5VBU
Crystal Structure of Human Cytochrome P450 21A2 Hydroxyprogesterone Complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-07-10 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.97857 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 152.431, 88.385, 111.417 |
Unit cell angles | 90.00, 102.37, 90.00 |
Refinement procedure
Resolution | 108.830 - 3.310 |
R-factor | 0.1945 |
Rwork | 0.191 |
R-free | 0.24106 |
RMSD bond length | 0.015 |
RMSD bond angle | 2.194 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 108.830 | 3.420 |
High resolution limit [Å] | 3.310 | 3.310 |
Rmerge | 0.114 | 0.866 |
Rpim | 0.060 | 0.456 |
Number of reflections | 19819 | 1982 |
<I/σ(I)> | 11.79 | 1.51 |
Completeness [%] | 92.3 | 93.2 |
Redundancy | 4.5 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7 | 291 | 0.2M Ammonium citrate tribasic pH 7.0, 20% W/V PEG 3350 |