4B4G
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 | 64.110, 153.070, 134.840 |
| Unit cell angles | 90.00, 92.57, 90.00 |
Refinement procedure
| Resolution | 29.108 - 2.500 |
| R-factor | 0.204 |
| Rwork | 0.200 |
| R-free | 0.27380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4arw |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.617 |
| 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] | 29.110 | 2.550 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rmerge | 0.060 | 0.610 |
| Number of reflections | 44901 | |
| <I/σ(I)> | 13.5 | 2.4 |
| Completeness [%] | 98.9 | 94.7 |
| Redundancy | 2.7 | 2.3 |
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 |
