4UHI
HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN C121 SPACE GROUP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-05 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 168.663, 145.869, 115.987 |
Unit cell angles | 90.00, 127.15, 90.00 |
Refinement procedure
Resolution | 50.010 - 2.040 |
R-factor | 0.21578 |
Rwork | 0.215 |
R-free | 0.23277 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.981 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (MR) |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 98.900 | 2.280 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.070 | 0.490 |
Number of reflections | 140942 | |
<I/σ(I)> | 13 | 3 |
Completeness [%] | 98.8 | 98.6 |
Redundancy | 4.6 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.4 | pH 7.4 |