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 |
