6FFX
Crystal structure of R. ruber ADH-A, mutant F43H
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 | 65.647, 103.162, 111.187 |
Unit cell angles | 90.00, 90.74, 90.00 |
Refinement procedure
Resolution | 29.300 - 2.500 |
R-factor | 0.22295 |
Rwork | 0.221 |
R-free | 0.25257 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3jv7 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.412 |
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] | 29.330 | 2.570 |
High resolution limit [Å] | 2.490 | 2.490 |
Rmerge | 0.080 | 0.607 |
Rmeas | 0.096 | 0.748 |
Rpim | 0.053 | 0.431 |
Number of reflections | 51089 | 3847 |
<I/σ(I)> | 7.9 | |
Completeness [%] | 98.8 | 87 |
Redundancy | 3.2 | 2.8 |
CC(1/2) | 0.995 | 0.709 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 293 | 17% Polyacrylic acid 5100 0.1 M Tris pH 8 4 mM NAD+ 20 mM MgCl2 100 mM phenylethandiol 7.5 mg/ml ADHA-mutant |