5BNM
E. coli FabH with Small Molecule Inhibitor 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-28 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.032, 80.073, 119.051 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.210 - 1.700 |
| R-factor | 0.2409 |
| Rwork | 0.239 |
| R-free | 0.26920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.580 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.073 | 0.283 |
| Number of reflections | 64742 | |
| <I/σ(I)> | 9.8 | 2.2 |
| Completeness [%] | 93.7 | 62.9 |
| Redundancy | 3.96 | 1.96 |
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 |
