6FFZ
Crystal structure of R. ruber ADH-A, mutant F43H, Y54L
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 | 2017-02-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.497, 105.572, 108.658 |
| Unit cell angles | 90.00, 91.51, 90.00 |
Refinement procedure
| Resolution | 29.500 - 1.710 |
| R-factor | 0.16246 |
| Rwork | 0.161 |
| R-free | 0.18273 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3jv7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.465 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.500 | 1.740 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.088 | 0.657 |
| Rmeas | 0.104 | 0.856 |
| Rpim | 0.056 | 0.542 |
| Number of reflections | 156099 | 5845 |
| <I/σ(I)> | 6.3 | |
| Completeness [%] | 98.3 | 74.2 |
| Redundancy | 3.2 | 2 |
| CC(1/2) | 0.989 | 0.503 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 15% Polyacrylic acid 5100 0.1 M Tris pH 8 4 mM NAD+ 20 mM MgCl2 7.5 mg/ml ADHA mutant |
