4CV1
Crystal structure of S. aureus FabI in complex with NADPH and CG400549
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 | PIXEL |
| Collection date | 2012-09-13 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.897, 108.465, 296.842 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.560 - 1.950 |
| R-factor | 0.17113 |
| Rwork | 0.168 |
| R-free | 0.23083 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4alk |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.628 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.560 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.160 | 1.350 |
| Number of reflections | 146661 | |
| <I/σ(I)> | 15.6 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 16.6 | 14.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.2 M LI2SO4, 24% PEG 3350, pH 8.0 |
