3CNV
Crystal structure of the ligand-binding domain of a putative GntR-family transcriptional regulator from Bordetella bronchiseptica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-23 |
| Detector | APS-1 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.196, 58.071, 65.580 |
| Unit cell angles | 82.36, 86.52, 68.31 |
Refinement procedure
| Resolution | 29.910 - 2.000 |
| R-factor | 0.167 |
| Rwork | 0.164 |
| R-free | 0.21700 |
| Structure solution method | SAD |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.922 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.122 | 0.382 |
| Number of reflections | 52604 | |
| <I/σ(I)> | 18.387 | 3 |
| Completeness [%] | 97.6 | 95.8 |
| Redundancy | 4.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 273 | 0.1M Bis-tris pH 7.0, 1M Tri-ammonium citrate pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 273K |
