6WV7
Human VKOR with Chlorophacinone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-11 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 |
Unit cell lengths | 42.564, 82.567, 78.782 |
Unit cell angles | 93.39, 97.36, 104.21 |
Refinement procedure
Resolution | 34.742 - 2.483 |
R-factor | 0.202 |
Rwork | 0.200 |
R-free | 0.24470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2b3p |
RMSD bond length | 0.006 |
RMSD bond angle | 0.844 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
High resolution limit [Å] | 2.483 | 6.780 | 2.500 |
Rmerge | 0.087 | 0.021 | 0.563 |
Rmeas | 0.123 | 0.029 | 0.796 |
Rpim | 0.087 | 0.021 | 0.563 |
Number of reflections | 31278 | 1598 | 1573 |
<I/σ(I)> | 8.9 | ||
Completeness [%] | 87.5 | 89.3 | 88.3 |
Redundancy | 1.8 | 1.8 | 1.7 |
CC(1/2) | 0.998 | 0.524 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 6.5 | 295 | 33% PEG400, 5% DMSO, 0.1 M sodium acetate, 0.1 M MES, pH 6.5 |