4CV3
Crystal structure of E. coli FabI in complex with NADH and PT166
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-05-12 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 79.678, 79.678, 330.150 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 69.000 - 1.950 |
| R-factor | 0.17799 |
| Rwork | 0.176 |
| R-free | 0.21206 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qsg |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.774 |
| 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] | 47.700 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.100 | 0.650 |
| Number of reflections | 46243 | |
| <I/σ(I)> | 12.6 | 2.7 |
| Completeness [%] | 99.5 | 98.6 |
| Redundancy | 6.6 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 0.1 M NA-CITRATE PH 5.6, 0.2 M NH4AC, 10% PEG 8000 |
