5O9D
Crystal structure of R. ruber ADH-A, mutant Y294F, W295A, Y54F, F43H, H39Y
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 | 2017-03-03 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.492, 104.828, 109.009 |
| Unit cell angles | 90.00, 91.13, 90.00 |
Refinement procedure
| Resolution | 28.300 - 1.790 |
| R-factor | 0.17134 |
| Rwork | 0.170 |
| R-free | 0.19131 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3jv7 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.460 |
| 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] | 28.310 | 1.820 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.114 | 0.672 |
| Rpim | 0.072 | 0.441 |
| Number of reflections | 137475 | 6245 |
| <I/σ(I)> | 6.7 | 1.5 |
| Completeness [%] | 99.0 | 90 |
| Redundancy | 3.4 | 3.1 |
| CC(1/2) | 0.991 | 0.573 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 17% PAA5100, 0.1 M Tris pH 8, 4 mM NAD+, 10 mM MgCl2, 7.5 mg/ml ADH-A |
