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 |
