4UHL
HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN P1 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 | 2015-02-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 111.210, 111.500, 118.480 |
| Unit cell angles | 64.09, 75.07, 62.42 |
Refinement procedure
| Resolution | 54.270 - 2.500 |
| R-factor | 0.19249 |
| Rwork | 0.190 |
| R-free | 0.23710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4uhi |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.873 |
| 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] | 54.300 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.060 | 0.620 |
| Number of reflections | 154245 | |
| <I/σ(I)> | 14 | 2 |
| Completeness [%] | 98.5 | 97.7 |
| Redundancy | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | pH 7.4 |
