6UEZ
Human sterol 14a-demethylase (CYP51) in complex with the substrate lanosterol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-20 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.1271 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 91.180, 165.070, 154.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.600 - 1.980 |
| R-factor | 0.1927 |
| Rwork | 0.191 |
| R-free | 0.22210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4uhi |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.374 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.600 | 2.030 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.056 | 0.934 |
| Number of reflections | 68672 | 2937 |
| <I/σ(I)> | 16.1 | 1.1 |
| Completeness [%] | 89.6 | 52.8 |
| Redundancy | 8.6 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.4 | 293 | PEG3350, HEGA-11, potassium phosphate, lanosterol |
