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 |