5BNS
E. coli Fabh with small molecule inhibitor 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-21 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.907, 66.878, 162.011 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.340 - 2.200 |
| R-factor | 0.2283 |
| Rwork | 0.225 |
| R-free | 0.28710 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.120 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.950 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.455 | |
| Number of reflections | 34647 | |
| <I/σ(I)> | 5.5 | 1.4 |
| Completeness [%] | 96.1 | 94.3 |
| Redundancy | 2.78 | 2.28 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 14% PEG 4000, 0.1 M magnesium chloride, 0.1 m Tris |
