5I8Z
Crystal structure of B. pseudomallei FabI in complex with NAD and PT12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-05-25 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.542 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 74.550, 75.910, 89.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.969 - 1.623 |
| R-factor | 0.1421 |
| Rwork | 0.141 |
| R-free | 0.16270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ek2 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.918 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.970 | 1.710 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.037 | 0.147 |
| Number of reflections | 32015 | |
| <I/σ(I)> | 21.8 | 7.5 |
| Completeness [%] | 98.9 | 99.8 |
| Redundancy | 4.7 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bistris, pH 6.5, 22% PEG 400 |
