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 |