5BQS
S. Pneumoniae Fabh with small molecule inhibitor 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-05 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.191, 77.734, 64.633 |
| Unit cell angles | 90.00, 108.97, 90.00 |
Refinement procedure
| Resolution | 26.540 - 1.900 |
| R-factor | 0.2125 |
| Rwork | 0.211 |
| R-free | 0.24880 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.090 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.120 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.375 | |
| Number of reflections | 36472 | |
| <I/σ(I)> | 9.9 | 2.2 |
| Completeness [%] | 91.1 | 89.7 |
| Redundancy | 3.14 | 3.11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 2M Na Malonate, 0.1 PCPT Buffer |
