5I7V
Crystal structure of B. pseudomallei FabI in complex with NAD and PT02
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-27 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.873 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 69.620, 111.950, 262.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.739 - 2.600 |
| R-factor | 0.2242 |
| Rwork | 0.221 |
| R-free | 0.27980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ek2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.135 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6.2_432) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.980 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.216 | 1.167 |
| Number of reflections | 32230 | |
| <I/σ(I)> | 9 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.1 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 8 % PEG 1000, 8 % PEG 8000 |
