4CV1
Crystal structure of S. aureus FabI in complex with NADPH and CG400549
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 | PIXEL |
Collection date | 2012-09-13 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.897, 108.465, 296.842 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.560 - 1.950 |
R-factor | 0.17113 |
Rwork | 0.168 |
R-free | 0.23083 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4alk |
RMSD bond length | 0.011 |
RMSD bond angle | 1.628 |
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] | 47.560 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.160 | 1.350 |
Number of reflections | 146661 | |
<I/σ(I)> | 15.6 | 2.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 16.6 | 14.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 0.2 M LI2SO4, 24% PEG 3350, pH 8.0 |