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 |