5ENO
MBX2319 bound structure of bacterial efflux pump.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-16 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.97794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 108.758, 145.147, 174.243 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.2016 |
Rwork | 0.199 |
R-free | 0.24706 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5en5 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.725 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.330 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.307 | 1.630 |
Number of reflections | 140556 | |
<I/σ(I)> | 5.27 | |
Completeness [%] | 99.7 | 98.5 |
Redundancy | 13.6 | 12.2 |
CC(1/2) | 0.984 | 0.473 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M MES pH6.5, 0.21 M NaCl, 11.5% PEG4000 |