6WV6
Human VKOR with phenindione
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 | 2016-12-06 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 155.019, 84.878, 42.558 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.300 - 2.700 |
R-factor | 0.228 |
Rwork | 0.226 |
R-free | 0.26780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2b3p |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18_3855) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.750 |
High resolution limit [Å] | 2.700 | 7.320 | 2.700 |
Rmerge | 0.117 | 0.040 | 0.646 |
Rmeas | 0.142 | 0.049 | 0.789 |
Rpim | 0.079 | 0.028 | 0.446 |
Total number of observations | 45677 | ||
Number of reflections | 15647 | 863 | 738 |
<I/σ(I)> | 6.8 | ||
Completeness [%] | 97.1 | 94.3 | 94.4 |
Redundancy | 2.9 | 2.8 | 2.7 |
CC(1/2) | 0.999 | 0.730 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 6.5 | 295 | 34% PEG400, 80 mM lithium sulfate, 0.1 M MES, pH 6.5 |