4CV2
Crystal structure of E. coli FabI in complex with NADH 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 | 2013-04-10 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 80.108, 80.108, 320.186 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 69.380 - 1.800 |
R-factor | 0.17639 |
Rwork | 0.175 |
R-free | 0.20704 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qsg |
RMSD bond length | 0.012 |
RMSD bond angle | 1.601 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.100 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.120 | 1.100 |
Number of reflections | 56987 | |
<I/σ(I)> | 12.6 | 2.3 |
Completeness [%] | 98.7 | 96.6 |
Redundancy | 14.4 | 12.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 10.5 | 0.2 M NH4AC, 0.1 M CAPS PH 10.5, 20% PEG 8000 |