6SDM
NADH-dependent variant of TBADH
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 | 2018-09-06 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.123, 123.946, 169.240 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 71.680 - 2.850 |
R-factor | 0.1774 |
Rwork | 0.174 |
R-free | 0.23850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ykf |
RMSD bond length | 0.009 |
RMSD bond angle | 1.061 |
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] | 71.680 | 2.952 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.192 | 1.671 |
Number of reflections | 39642 | 3923 |
<I/σ(I)> | 6.92 | 1.11 |
Completeness [%] | 99.9 | 99.62 |
Redundancy | 6.5 | |
CC(1/2) | 0.991 | 0.554 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 298 | 20% w/v PEG 3K, sodium citrate pH 5.5 |