4BNG
Crystal structure of S. aureus FabI in complex with NADP and 5-pentyl- 2-phenoxyphenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-22 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 1 |
| Unit cell lengths | 89.116, 94.436, 94.880 |
| Unit cell angles | 98.56, 97.22, 111.35 |
Refinement procedure
| Resolution | 46.010 - 2.200 |
| R-factor | 0.15773 |
| Rwork | 0.155 |
| R-free | 0.20793 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4alk |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.782 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.180 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.060 | 0.280 |
| Number of reflections | 132692 | |
| <I/σ(I)> | 10.2 | 2.2 |
| Completeness [%] | 93.5 | 92.3 |
| Redundancy | 1.8 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M NA/K-PHOSPHATE PH 6.5, 47% MPD |
