4B4B
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-07-07 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 64.060, 154.240, 134.850 |
| Unit cell angles | 90.00, 92.78, 90.00 |
Refinement procedure
| Resolution | 59.101 - 2.100 |
| R-factor | 0.228 |
| Rwork | 0.226 |
| R-free | 0.26550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4arw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.442 |
| 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] | 59.100 | 2.150 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.530 |
| Number of reflections | 72939 | |
| <I/σ(I)> | 13.7 | 3.5 |
| Completeness [%] | 95.8 | 99.9 |
| Redundancy | 7.5 | 7.9 |
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 |
