5FYE
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 | 2015-03-23 |
Detector | RIGAKU SATURN 944 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 64.290, 154.420, 134.620 |
Unit cell angles | 90.00, 92.30, 90.00 |
Refinement procedure
Resolution | 134.512 - 2.400 |
R-factor | 0.245 |
Rwork | 0.243 |
R-free | 0.28310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4asj |
RMSD bond length | 0.017 |
RMSD bond angle | 1.771 |
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] | 27.800 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.110 | 0.390 |
Number of reflections | 48194 | |
<I/σ(I)> | 7 | 3.5 |
Completeness [%] | 94.3 | 94.4 |
Redundancy | 3.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 4% PEG 6000, 0.1 M MES PH6, 0.05 M MGCL2, 0.1 M NABR, 1% B-ME |