7QTH
Crystal structure of the Shewanella oneidensis MR1 MtrC mutant C453A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-19 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.061, 89.797, 154.286 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 77.730 - 1.900 |
R-factor | 0.1535 |
Rwork | 0.151 |
R-free | 0.19560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lm8 |
RMSD bond length | 0.015 |
RMSD bond angle | 2.813 |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 154.290 | 154.290 | 1.940 |
High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
Rmerge | 0.099 | 0.032 | 0.441 |
Rmeas | 0.107 | 0.035 | 0.484 |
Rpim | 0.042 | 0.014 | 0.198 |
Total number of observations | 385137 | 3550 | 21779 |
Number of reflections | 58700 | 627 | 3699 |
<I/σ(I)> | 14 | 35 | 4 |
Completeness [%] | 99.5 | 99 | 99.3 |
Redundancy | 6.6 | 5.7 | 5.9 |
CC(1/2) | 0.997 | 0.999 | 0.902 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 289 | 21% PEG 6000, 0.1 M CaCl2, 0.2 M Sodium acetate, pH 5.0 |