4ARW
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-18 |
| Detector | RIGAKU SATURN 944 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 63.990, 153.760, 134.650 |
| Unit cell angles | 90.00, 92.32, 90.00 |
Refinement procedure
| Resolution | 30.815 - 2.204 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.20830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fzw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.228 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.800 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.060 | 0.360 |
| Number of reflections | 62911 | |
| <I/σ(I)> | 17.1 | 3.5 |
| Completeness [%] | 96.3 | 79.1 |
| Redundancy | 3.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 4% PEG6000, 0.1M MES PH6, 0.05M MGCL2, 0.1M NABR, 1% B-ME |
