4B3U
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 | 64.210, 154.580, 134.030 |
| Unit cell angles | 90.00, 92.05, 90.00 |
Refinement procedure
| Resolution | 45.129 - 1.800 |
| R-factor | 0.22 |
| Rwork | 0.218 |
| R-free | 0.26150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4arw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.476 |
| 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] | 45.130 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.040 | 0.680 |
| Number of reflections | 118780 | |
| <I/σ(I)> | 14.9 | 1.7 |
| Completeness [%] | 91.1 | 98.8 |
| Redundancy | 3.3 | 3.2 |
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 |
