5O8Q
Crystal structure of R. ruber ADH-A, mutant Y294F, W295A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-18 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 103.689, 109.458, 256.653 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.640 - 2.220 |
R-factor | 0.19463 |
Rwork | 0.194 |
R-free | 0.21576 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3jv7 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.426 |
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] | 29.740 | 2.250 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 0.168 | 0.680 |
Rpim | 0.092 | 0.285 |
Number of reflections | 144348 | 5774 |
<I/σ(I)> | 7.8 | 2.4 |
Completeness [%] | 99.0 | 80.9 |
Redundancy | 7.4 | 5.9 |
CC(1/2) | 0.995 | 0.763 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 16% PAA, 20mM MgCl2, 0.1 m Tris pH8, 4mM NAD+, 10mM Acetophenone, 7 mg/ml ADH-A |