5I9M
Crystal structure of B. pseudomallei FabI in complex with NAD and PT408
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 69.029, 111.217, 260.695 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.209 - 2.250 |
| R-factor | 0.2525 |
| Rwork | 0.251 |
| R-free | 0.28080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ek2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.143 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.210 | 2.370 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.092 | 0.619 |
| Number of reflections | 48130 | |
| <I/σ(I)> | 13 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.7 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bistris, pH 6.5, 26 % PEG 400 |
