5IFL
Crystal structure of B. pseudomallei FabI in complex with NAD and triclosan
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 | CCD |
| Collection date | 2009-08-18 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.360, 99.920, 139.860 |
| Unit cell angles | 82.87, 89.20, 78.13 |
Refinement procedure
| Resolution | 48.584 - 2.600 |
| R-factor | 0.2235 |
| Rwork | 0.221 |
| R-free | 0.26240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ek2 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.729 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.390 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.106 | 0.525 |
| Number of reflections | 112071 | |
| <I/σ(I)> | 8.9 | 3.2 |
| Completeness [%] | 98.5 | 97.9 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 8 % PEG 1000, 8 % PEG 8000 |
