6SCH
NADH-dependent variant of CBADH
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 | 2018-07-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 75.812, 99.570, 114.089 |
Unit cell angles | 90.00, 102.77, 90.00 |
Refinement procedure
Resolution | 69.010 - 2.200 |
R-factor | 0.1658 |
Rwork | 0.164 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kev |
RMSD bond length | 0.007 |
RMSD bond angle | 1.028 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.165 | 2.229 |
High resolution limit [Å] | 2.192 | 2.192 |
Rmerge | 0.096 | 1.061 |
Rmeas | 0.115 | 1.346 |
Number of reflections | 83162 | 3576 |
<I/σ(I)> | 7.5 | |
Completeness [%] | 98.0 | 84.4 |
Redundancy | 3.2 | 2.2 |
CC(1/2) | 0.997 | 0.347 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 290 | 900 mM sodium citrate, 100 mM imidazole pH 8 |