4B5B
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 | 2012-06-13 |
| Detector | RIGAKU SATURN 944 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 64.090, 154.400, 134.540 |
| Unit cell angles | 90.00, 92.39, 90.00 |
Refinement procedure
| Resolution | 31.443 - 2.055 |
| R-factor | 0.214 |
| Rwork | 0.212 |
| R-free | 0.24690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4arw |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.345 |
| 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] | 31.440 | 2.110 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.070 | 0.480 |
| Number of reflections | 79243 | |
| <I/σ(I)> | 12.9 | 2.3 |
| Completeness [%] | 97.7 | 79 |
| Redundancy | 3.1 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 4% PEG 6000, 0.1 M MES PH 6, 0.05 M MGCL2, 0.1 M NA BR, 1% BETA-MERCAPTOETHANOL |
