9V6A
X-ray crystal structure of the T66V mutant b5R co-crystallized with NADH
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) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.676, 79.460, 86.481 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 0.940 |
| Rwork | 0.117 |
| R-free | 0.13820 |
| 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 | 0.960 |
| High resolution limit [Å] | 0.940 | 0.940 |
| Rmerge | 0.045 | 0.601 |
| Number of reflections | 204957 | 7089 |
| <I/σ(I)> | 26.2 | 2.1 |
| Completeness [%] | 96.3 | 68.4 |
| Redundancy | 12.2 | 6.5 |
| CC(1/2) | 0.998 | 0.821 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 16% PEG 3350, 10mM potassium phosphate pH 7.0, 1mM dithiothreitol, 0.1 mM NADH |
