5BNR
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 | 2009-03-12 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 73.041, 73.041, 94.578 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.880 - 1.890 |
| R-factor | 0.2024 |
| Rwork | 0.200 |
| R-free | 0.24490 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.880 | 1.960 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.356 | |
| Number of reflections | 21082 | |
| <I/σ(I)> | 12.3 | 5.6 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 11.6 | 10.98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 14% PEG 4000, magnesium chloride, 0.1 M Tris |
