6WV5
Human VKOR C43S mutant with vitamin K1 epoxide
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 | 2017-07-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9791 |
| Spacegroup name | H 3 |
| Unit cell lengths | 88.927, 88.927, 229.889 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.478 - 2.800 |
| R-factor | 0.2331 |
| Rwork | 0.231 |
| R-free | 0.27040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b3p |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.543 |
| 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 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
| Rmerge | 0.075 | 0.033 | 0.425 |
| Rmeas | 0.095 | 0.043 | 0.545 |
| Rpim | 0.056 | 0.026 | 0.334 |
| Total number of observations | 35949 | ||
| Number of reflections | 15792 | 802 | 784 |
| <I/σ(I)> | 9.5 | ||
| Completeness [%] | 94.3 | 94.9 | 96.8 |
| Redundancy | 2.3 | 2.4 | 2.2 |
| CC(1/2) | 1.000 | 0.752 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6.5 | 295 | 25% PEG400, 0.1 M ammonium citrate dibasic, 0.1 M MES, pH 6.5 |
