5I9L
Crystal structure of B. pseudomallei FabI in complex with NAD and PT404
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 | 2011-11-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 74.579, 75.063, 86.375 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.531 - 1.800 |
| R-factor | 0.1769 |
| Rwork | 0.175 |
| R-free | 0.21380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.147 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.190 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.072 | 0.637 |
| Number of reflections | 22817 | |
| <I/σ(I)> | 15.4 | 3.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bistris, pH 6.5, 30 % PEG 400 |
