6TEV
The structure of CYP121 in complex with inhibitor L44
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-24 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 77.555, 77.555, 264.188 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.528 - 1.700 |
| R-factor | 0.171463540513 |
| Rwork | 0.171 |
| R-free | 0.18857 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n40 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.835 |
| Data reduction software | pointless |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | Coot (0.8.9.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.090 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rpim | 0.030 | 0.227 |
| Number of reflections | 52925 | 7523 |
| <I/σ(I)> | 15.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 9.5 | |
| CC(1/2) | 0.999 | 0.891 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | Calcium acetate, sodium acetate, PEG 400 |
