4AKY
CRYSTAL STRUCTURE OF VIRB8 FROM BRUCELLA SUIS IN COMPLEX WITH INTERACTION INHIBITOR 2-(butylamino)-8-quinolinol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-13 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 198.440, 198.440, 103.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.565 - 2.600 |
| R-factor | 0.1993 |
| Rwork | 0.198 |
| R-free | 0.23640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bhm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.733 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.600 | 2.670 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.100 | |
| Number of reflections | 31872 | |
| <I/σ(I)> | 24.2 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.6 | 14.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.6 | 0.8 M K2HPO4, 0.04 M NA2HPO4 AND 1% DMSO, pH 7.6 |
