4ALJ
Crystal structure of S. aureus FabI in complex with NADP and 5-chloro- 2-phenoxyphenol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-24 |
Detector | ADSC CCD |
Spacegroup name | P 1 |
Unit cell lengths | 90.240, 94.756, 94.803 |
Unit cell angles | 97.95, 112.35, 97.36 |
Refinement procedure
Resolution | 49.110 - 2.200 |
R-factor | 0.16089 |
Rwork | 0.158 |
R-free | 0.21932 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4alk |
RMSD bond length | 0.012 |
RMSD bond angle | 1.788 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.110 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.080 | 0.350 |
Number of reflections | 135192 | |
<I/σ(I)> | 5.91 | 1.95 |
Completeness [%] | 94.4 | 93.2 |
Redundancy | 1.85 | 1.85 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 0.1 M K/NA-PHOSPHATE PH 6.5, 35% MPD |