4ALK
Crystal structure of S. aureus FabI in complex with NADP and 5-ethyl- 2-phenoxyphenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-24 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 |
| Unit cell lengths | 90.230, 95.140, 95.340 |
| Unit cell angles | 98.24, 112.27, 97.27 |
Refinement procedure
| Resolution | 40.930 - 1.900 |
| R-factor | 0.15218 |
| Rwork | 0.150 |
| R-free | 0.19274 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4all |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.767 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.330 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.400 |
| Number of reflections | 206602 | |
| <I/σ(I)> | 6.41 | 2 |
| Completeness [%] | 92.1 | 92.6 |
| Redundancy | 2.07 | 2.07 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M K/NA-PHOSPHATE PH 6.5, 36% MPD |
