4BNK
Crystal structure of S. aureus FabI in complex with NADP and 5-fluoro- 2-phenoxyphenol
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 | CCD |
| Collection date | 2012-06-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 90.610, 95.010, 94.950 |
| Unit cell angles | 98.12, 97.00, 112.79 |
Refinement procedure
| Resolution | 46.110 - 2.500 |
| R-factor | 0.18354 |
| Rwork | 0.180 |
| R-free | 0.25006 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4alk |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.814 |
| 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] | 46.110 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.120 | 0.570 |
| Number of reflections | 94724 | |
| <I/σ(I)> | 7.2 | 2 |
| Completeness [%] | 96.6 | 96 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M NA/K-PHOSPHATE PH 6.5, 36% MPD |
