6ZRE
Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2015-02-08 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9786 |
Spacegroup name | H 3 2 |
Unit cell lengths | 86.797, 86.797, 1046.530 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.630 - 2.800 |
Rwork | 0.293 |
R-free | 0.31750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d5k |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.630 | 49.340 | 2.920 |
High resolution limit [Å] | 2.800 | 9.700 | 2.800 |
Rmerge | 0.017 | 0.034 | 1.489 |
Rmeas | 0.024 | 0.036 | 1.571 |
Rpim | 0.013 | 0.495 | |
Total number of observations | 8717 | 45921 | |
Number of reflections | 38761 | 1076 | 4588 |
<I/σ(I)> | 15.77 | 45.7 | 1.5 |
Completeness [%] | 99.5 | 98.8 | 99.7 |
Redundancy | 2 | 8.1 | 10 |
CC(1/2) | 0.998 | 0.998 | 0.888 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | sodium sulfate, lithium sulfate, PEG 400, Tris-HCl |