4ASY
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 | 2011-08-25 |
Detector | RIGAKU SATURN 944 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.990, 136.980, 75.190 |
Unit cell angles | 90.00, 103.28, 90.00 |
Refinement procedure
Resolution | 44.475 - 2.300 |
R-factor | 0.212 |
Rwork | 0.209 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4arw |
RMSD bond length | 0.009 |
RMSD bond angle | 1.339 |
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] | 44.500 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.080 | 0.580 |
Number of reflections | 62887 | |
<I/σ(I)> | 16.7 | 2.9 |
Completeness [%] | 97.2 | 90.1 |
Redundancy | 3.7 | 3.7 |
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% BETA-MERCAPTOETHANOL |