5I9N
Crystal structure of B. pseudomallei FabI in complex with NAD and PT412
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 | 2013-01-21 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.542 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 72.630, 74.670, 96.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.607 - 2.512 |
| R-factor | 0.1591 |
| Rwork | 0.156 |
| R-free | 0.21520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ek2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.090 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.110 | 2.650 |
| High resolution limit [Å] | 2.510 | 2.510 |
| Rmerge | 0.120 | 0.215 |
| Number of reflections | 8929 | |
| <I/σ(I)> | 10.7 | 6.4 |
| Completeness [%] | 96.6 | 94.1 |
| Redundancy | 4.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bistris, pH 6.5, 30 % PEG 300 |
