6T37
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 | 2018-11-06 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 63.910, 152.570, 134.720 |
Unit cell angles | 90.00, 93.39, 90.00 |
Refinement procedure
Resolution | 25.710 - 2.079 |
R-factor | 0.2188 |
Rwork | 0.217 |
R-free | 0.24190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ftv |
RMSD bond length | 0.008 |
RMSD bond angle | 1.310 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.7.3) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.710 | 25.710 | 2.120 |
High resolution limit [Å] | 2.079 | 10.400 | 2.079 |
Rmerge | 0.121 | 0.061 | 0.613 |
Rmeas | 0.143 | 0.071 | 0.768 |
Rpim | 0.075 | 0.037 | 0.454 |
Number of reflections | 76533 | 592 | 4280 |
<I/σ(I)> | 6.1 | ||
Completeness [%] | 99.2 | 93.5 | 93.2 |
Redundancy | 3.4 | 3.6 | 2.7 |
CC(1/2) | 0.992 | 0.993 | 0.534 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 12% PEG 6000, 0.1 M MES PH 6, 0.1 M MGCL2, 0.15 M NA BR, 1% BETA-MERCAPTOETHANOL |