7O7G
Crystal structure of the Shewanella oneidensis MR1 MtrC mutant H561M
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 | 2021-02-05 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.875, 89.657, 153.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.060 - 1.600 |
| R-factor | 0.1719 |
| Rwork | 0.170 |
| R-free | 0.20460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lm8 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.689 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.900 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 96658 | 4516 |
| <I/σ(I)> | 9.2 | |
| Completeness [%] | 99.8 | 95 |
| Redundancy | 5.5 | 5.6 |
| CC(1/2) | 0.998 | 0.673 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.5 | 277 | 0.4 M sodium acetate pH 4.5, 0.1 M calcium chloride, 19% PEG6000 |
