3D8U
The crystal structure of a PurR family transcriptional regulator from Vibrio parahaemolyticus RIMD 2210633
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97945, 0.97959 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 126.264, 126.264, 83.760 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.300 - 2.880 |
| R-factor | 0.21703 |
| Rwork | 0.214 |
| R-free | 0.28278 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.654 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.300 | 2.950 |
| High resolution limit [Å] | 2.880 | 2.880 |
| Rmerge | 0.105 | 0.822 |
| Number of reflections | 17527 | |
| <I/σ(I)> | 30.2 | 1.8 |
| Completeness [%] | 98.4 | 85.8 |
| Redundancy | 10.4 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 1.0M sodium citrate 0.1M imidazole, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
