7X6F
Outer membrane lipoprotein QseG of Escherichia coli O157:H7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.963, 149.785, 88.302 |
Unit cell angles | 90.00, 94.65, 90.00 |
Refinement procedure
Resolution | 39.803 - 2.300 |
Rwork | 0.221 |
R-free | 0.27350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold structure |
RMSD bond length | 0.010 |
RMSD bond angle | 1.513 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.430 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.091 | 0.834 |
Rmeas | 0.108 | 0.983 |
Rpim | 0.058 | 0.516 |
Number of reflections | 48807 | 4582 |
<I/σ(I)> | 8.5 | 1.6 |
Completeness [%] | 98.9 | 99.7 |
Redundancy | 3.4 | 3.6 |
CC(1/2) | 0.996 | 0.650 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.08 M magnesium acetate tetrahydrate, 0.1 M sodium citrate pH 6.0, 14% (w/v) polyethylene glycol monomethyl ether 5000 |