5O8H
Crystal structure of R. ruber ADH-A, mutant Y294F, W295A, F43H, H39Y
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 | 65.702, 105.678, 109.623 |
| Unit cell angles | 90.00, 91.51, 90.00 |
Refinement procedure
| Resolution | 29.630 - 1.960 |
| R-factor | 0.177 |
| Rwork | 0.176 |
| R-free | 0.20352 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3jv7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.448 |
| 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] | 29.630 | 1.990 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.103 | 0.764 |
| Rpim | 0.065 | 0.489 |
| Number of reflections | 107618 | 5020 |
| <I/σ(I)> | 6.9 | 1.5 |
| Completeness [%] | 99.6 | 93.7 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.995 | 0.574 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 19% PAA5100, 0.1 M Tris pH 8, 4 mM NAD+, 20 mM MgCl2, 150 mM NaCl, 7.5 mg/ml ADH-A |
