4BNH
Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 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 | 2010-08-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 90.460, 94.580, 94.810 |
| Unit cell angles | 98.00, 112.68, 96.93 |
Refinement procedure
| Resolution | 33.480 - 2.150 |
| R-factor | 0.14912 |
| Rwork | 0.147 |
| R-free | 0.19634 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4alk |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.854 |
| 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] | 33.500 | 2.270 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.070 | 0.390 |
| Number of reflections | 150132 | |
| <I/σ(I)> | 6.8 | 2 |
| Completeness [%] | 97.9 | 97.2 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M NA/K-PHOSPHATE PH 6.5, 38% MPD |
