6HS8
The crystal structure of type II Dehydroquinase from Butyrivibrio crossotus DSM 2876
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-01-23 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.915870 |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 125.330, 125.330, 125.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.790 - 1.700 |
| R-factor | 0.1433 |
| Rwork | 0.142 |
| R-free | 0.17930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gqo |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.659 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.7.17) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.790 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.054 | 1.518 |
| Rmeas | 0.060 | 1.677 |
| Rpim | 0.025 | 0.702 |
| Number of reflections | 17966 | 888 |
| <I/σ(I)> | 18.3 | 1.4 |
| Completeness [%] | 99.8 | 99.89 |
| Redundancy | 5.7 | 5.5 |
| CC(1/2) | 0.999 | 0.554 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 10% MPD, 0.1M Sodium tartrate, 0.1M Sodium Acetate |
