4B4M
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 | 2012-05-28 |
Detector | RIGAKU SATURN 944 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 64.160, 153.960, 134.750 |
Unit cell angles | 90.00, 92.38, 90.00 |
Refinement procedure
Resolution | 33.658 - 2.350 |
R-factor | 0.186 |
Rwork | 0.183 |
R-free | 0.23730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4arw |
RMSD bond length | 0.009 |
RMSD bond angle | 1.346 |
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] | 33.660 | 2.400 |
High resolution limit [Å] | 2.340 | 2.340 |
Rmerge | 0.080 | 0.540 |
Number of reflections | 63967 | |
<I/σ(I)> | 12.1 | 2.1 |
Completeness [%] | 98.0 | 84.7 |
Redundancy | 3.4 | 2.3 |
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 |