6WVH
Human VKOR with Brodifacoum
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 | 42.576, 82.593, 78.610 |
Unit cell angles | 93.42, 97.48, 104.69 |
Refinement procedure
Resolution | 30.470 - 1.990 |
R-factor | 0.1956 |
Rwork | 0.195 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2b3p |
RMSD bond length | 0.004 |
RMSD bond angle | 0.793 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
High resolution limit [Å] | 1.990 | 5.430 | 2.000 |
Rmerge | 0.068 | 0.034 | 0.415 |
Rmeas | 0.088 | 0.044 | 0.541 |
Rpim | 0.055 | 0.027 | 0.343 |
Number of reflections | 63563 | 3208 | 3260 |
<I/σ(I)> | 9.2 | ||
Completeness [%] | 90.7 | 91.7 | 91.7 |
Redundancy | 2.3 | 2.3 | 2.2 |
CC(1/2) | 0.998 | 0.747 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 6.5 | 295 | 32% PEG400, 0.1 M ammonium acetate, 1% 1,2,3-heptanetriol, 0.1 M MES, pH 6.5 |