4ASJ
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 | 2011-07-28 |
| Detector | RIGAKU SATURN 944 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 64.170, 154.560, 134.680 |
| Unit cell angles | 90.00, 92.20, 90.00 |
Refinement procedure
| Resolution | 37.140 - 2.250 |
| R-factor | 0.242 |
| Rwork | 0.238 |
| R-free | 0.31830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4arw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.580 |
| 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] | 37.140 | 2.280 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.090 | 0.230 |
| Number of reflections | 56889 | |
| <I/σ(I)> | 8.8 | 4.7 |
| Completeness [%] | 88.7 | 75.1 |
| Redundancy | 2.6 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 4% PEG 6000, 0.1 M MES PH6, 0.05 M MGCL2, 0.1 M NABR, 1% B-ME |
