5FU0
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 | 2015-12-21 |
| Detector | MSC SATURN 944 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 64.150, 154.350, 134.800 |
| Unit cell angles | 90.00, 92.41, 90.00 |
Refinement procedure
| Resolution | 134.681 - 1.900 |
| R-factor | 0.255 |
| Rwork | 0.253 |
| R-free | 0.28530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4asj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.365 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.700 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.100 | 0.320 |
| Number of reflections | 102239 | |
| <I/σ(I)> | 7.1 | 3.3 |
| Completeness [%] | 93.0 | 79 |
| Redundancy | 3.8 | 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 |
