7SEL
E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.446, 91.990, 110.655 |
Unit cell angles | 90.00, 90.31, 90.00 |
Refinement procedure
Resolution | 31.989 - 2.978 |
R-factor | 0.2581 |
Rwork | 0.256 |
R-free | 0.28980 |
Structure solution method | MIR |
RMSD bond length | 0.004 |
RMSD bond angle | 0.773 |
Data reduction software | autoPROC |
Data scaling software | STARANISO |
Phasing software | PHENIX |
Refinement software | PHENIX ((dev_2747: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.989 | 3.080 |
High resolution limit [Å] | 2.978 | 2.980 |
Rpim | 0.040 | 0.400 |
Number of reflections | 25433 | 1092 |
<I/σ(I)> | 10.8 | 1.5 |
Completeness [%] | 94.3 | |
Redundancy | 3.4 | |
CC(1/2) | 0.990 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 292 | 200 MM NACL, 19% PEG 550 MME, 4% PEG400, 100 MM HEPES, PH7.0, VAPOR DIFFUSION |