4B42
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 | 2011-08-23 |
Detector | RIGAKU SATURN 944 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 64.150, 153.400, 134.670 |
Unit cell angles | 90.00, 92.54, 90.00 |
Refinement procedure
Resolution | 34.787 - 2.505 |
R-factor | 0.226 |
Rwork | 0.223 |
R-free | 0.28310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4arw |
RMSD bond length | 0.014 |
RMSD bond angle | 1.718 |
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] | 34.800 | 2.570 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.100 | 0.650 |
Number of reflections | 43494 | |
<I/σ(I)> | 10.2 | 2.5 |
Completeness [%] | 97.5 | 97.1 |
Redundancy | 3.2 | 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, 0.1M NABR, 1% BETA-MERCAPTOETHANOL |