8I29
Crystal structure of butanol dehydrogenase A (YqdH) in complex with NADH from Fusobacterium nucleatum
Replaces: 7YIPExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17B1 |
Synchrotron site | SSRF |
Beamline | BL17B1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-26 |
Detector | DECTRIS PILATUS3 X CdTe 2M |
Wavelength(s) | 0.9796 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 64.426, 79.351, 212.932 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.530 - 2.720 |
R-factor | 0.20356 |
Rwork | 0.197 |
R-free | 0.25799 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6l1k |
RMSD bond length | 0.008 |
RMSD bond angle | 1.464 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.530 | 2.817 |
High resolution limit [Å] | 2.719 | 2.719 |
Number of reflections | 14920 | 752 |
<I/σ(I)> | 11.88 | |
Completeness [%] | 98.6 | |
Redundancy | 12.4 | |
CC(1/2) | 0.929 | 0.531 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 279.15 | ammonium phosphate, HEPES |