6HS9
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 I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-18 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.826560 |
| Spacegroup name | H 3 |
| Unit cell lengths | 79.550, 79.550, 72.280 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.000 - 1.050 |
| R-factor | 0.1139 |
| Rwork | 0.113 |
| R-free | 0.13400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gqo |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.051 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.29) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.040 | 1.070 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.054 | 0.717 |
| Rmeas | 0.047 | 0.914 |
| Rpim | 0.028 | 0.559 |
| Total number of observations | 292996 | |
| Number of reflections | 119959 | 2186 |
| <I/σ(I)> | 13.9 | 1.4 |
| Completeness [%] | 99.5 | 98.8 |
| Redundancy | 4.8 | 2.4 |
| CC(1/2) | 0.998 | 0.477 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 10% PEG 8000, 0.1M CaCl2, 0.1M HEPES pH 7.5 |
