4ALJ
Crystal structure of S. aureus FabI in complex with NADP and 5-chloro- 2-phenoxyphenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-24 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 90.240, 94.756, 94.803 |
| Unit cell angles | 97.95, 112.35, 97.36 |
Refinement procedure
| Resolution | 49.110 - 2.200 |
| R-factor | 0.16089 |
| Rwork | 0.158 |
| R-free | 0.21932 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4alk |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.788 |
| 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] | 49.110 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.080 | 0.350 |
| Number of reflections | 135192 | |
| <I/σ(I)> | 5.91 | 1.95 |
| Completeness [%] | 94.4 | 93.2 |
| Redundancy | 1.85 | 1.85 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M K/NA-PHOSPHATE PH 6.5, 35% MPD |
