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 |
