4BKU
Enoyl-ACP reductase FabI from Burkholderia pseudomallei with cofactor NADH and inhibitor PT155
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS HTC |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 74.320, 75.950, 89.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.578 - 1.841 |
| R-factor | 0.1383 |
| Rwork | 0.137 |
| R-free | 0.16210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ek2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.137 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.970 | 1.940 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.070 | 0.260 |
| Number of reflections | 22291 | |
| <I/σ(I)> | 14.6 | 5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.9 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20% PEG 3350 200 MM (NH4)2HPO4 |
