5I7F
Crystal structure of B. pseudomallei FabI in complex with NAD and PT405
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-11-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 138.434, 109.775, 269.802 |
| Unit cell angles | 90.00, 104.51, 90.00 |
Refinement procedure
| Resolution | 47.171 - 2.700 |
| R-factor | 0.1933 |
| Rwork | 0.192 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bku |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.932 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.990 | 2.730 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.101 | 0.685 |
| Number of reflections | 101650 | |
| <I/σ(I)> | 6.9 | 1.4 |
| Completeness [%] | 94.8 | 95.7 |
| Redundancy | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bistris, pH 6.5 20 % PEG 400 |
