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 |