6FG0
Crystal structure of R. ruber ADH-A, mutant Y54G, F43T, L119Y, F282W
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.706, 105.463, 108.977 |
| Unit cell angles | 90.00, 91.40, 90.00 |
Refinement procedure
| Resolution | 29.500 - 1.740 |
| R-factor | 0.16388 |
| Rwork | 0.163 |
| R-free | 0.18132 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3jv7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.481 |
| 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 | 1.770 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.060 | 0.586 |
| Rmeas | 0.070 | 0.736 |
| Rpim | 0.036 | 0.435 |
| Number of reflections | 143025 | 4568 |
| <I/σ(I)> | 11.5 | 1.4 |
| Completeness [%] | 94.1 | 60.8 |
| Redundancy | 3.5 | 2.3 |
| CC(1/2) | 0.998 | 0.603 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 15% Polyacrylic acid 510 100 mM Tris pH 8 4 mM NAD+ 10 mM MgCl2 3 mg/ml ADHA mutant |
