4BNJ
Crystal structure of S. aureus FabI in complex with NADP and 5-methyl- 2-phenoxyphenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Collection date | 2010-09-08 |
| Spacegroup name | P 1 |
| Unit cell lengths | 89.860, 94.520, 94.830 |
| Unit cell angles | 98.17, 111.87, 97.33 |
Refinement procedure
| Resolution | 49.290 - 2.400 |
| R-factor | 0.14067 |
| Rwork | 0.138 |
| R-free | 0.19171 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4alk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.677 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.010 | 0.570 |
| Number of reflections | 107887 | |
| <I/σ(I)> | 8.7 | 2.3 |
| Completeness [%] | 98.0 | 96.8 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M NA/K-PHOSPHATE PH 6.5, 35% MPD |
