5FUH
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-10 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 64.460, 155.260, 134.830 |
Unit cell angles | 90.00, 92.53, 90.00 |
Refinement procedure
Resolution | 67.349 - 1.600 |
R-factor | 0.203 |
Rwork | 0.202 |
R-free | 0.22690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4asj |
RMSD bond length | 0.008 |
RMSD bond angle | 1.310 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.350 | 1.630 |
High resolution limit [Å] | 1.590 | 1.590 |
Rmerge | 0.100 | 0.680 |
Number of reflections | 175397 | |
<I/σ(I)> | 10.5 | 2.1 |
Completeness [%] | 99.1 | 96.1 |
Redundancy | 6 | 3.5 |
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 |