6WVA
Takifugu rubripes VKOR-like with vitamin K1 epoxide at non-catalytic state
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 | 2017-04-19 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9791 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 153.416, 49.217, 84.236 |
Unit cell angles | 90.00, 112.40, 90.00 |
Refinement procedure
Resolution | 42.320 - 3.350 |
R-factor | 0.2268 |
Rwork | 0.224 |
R-free | 0.27840 |
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 (1.19.1_4122) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.150 |
High resolution limit [Å] | 3.100 | 8.400 | 3.100 |
Rmerge | 0.126 | 0.057 | 1.080 |
Rmeas | 0.147 | 0.067 | 1.265 |
Rpim | 0.075 | 0.035 | 0.648 |
Total number of observations | 38881 | ||
Number of reflections | 10574 | 556 | 503 |
<I/σ(I)> | 7.5 | ||
Completeness [%] | 98.2 | 96 | 98.8 |
Redundancy | 3.7 | 3.5 | 3.6 |
CC(1/2) | 0.996 | 0.658 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 7.5 | 295 | 42% PEG 400, 50 mM ammonium formate, 0.1 M HEPES pH 7.5 |