9V69
X-ray crystal structure of the two-electron reduced form of wild type b5R
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 | 2019-02-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.90 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.021, 79.255, 86.827 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 0.960 |
| Rwork | 0.127 |
| R-free | 0.14810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | SHELXL |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.980 |
| High resolution limit [Å] | 0.960 | 0.960 |
| Rmerge | 0.038 | 0.459 |
| Number of reflections | 191725 | 7020 |
| <I/σ(I)> | 23 | 2.4 |
| Completeness [%] | 95.3 | |
| Redundancy | 6.4 | 4.4 |
| CC(1/2) | 0.995 | 0.818 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COUNTER-DIFFUSION | 7 | 293 | 30% PEG 3350, 10mM potassium phosphate, 1mM dithiothreitol, 0.1mM NADH |
