5I7S
Crystal structure of B. pseudomallei FabI in complex with NAD and PT01
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 | 2012-09-13 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 74.430, 75.860, 89.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.284 - 1.595 |
| R-factor | 0.1534 |
| Rwork | 0.152 |
| R-free | 0.17840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ek2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.145 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.284 | 1.680 |
| High resolution limit [Å] | 1.595 | 1.595 |
| Rmerge | 0.096 | 0.655 |
| Number of reflections | 33816 | |
| <I/σ(I)> | 11.2 | 2.2 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 4.4 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bistris, pH 6.5, 30 % PEG 300 |
