9B2G
Crystal structure of short chain dehydrogenase reductase 9 (short chain dehydrogenase reductase 9C4) in complex with NADH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.116, 74.205, 102.771 |
| Unit cell angles | 90.00, 133.12, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.000 |
| R-factor | 0.20334 |
| Rwork | 0.201 |
| R-free | 0.23844 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.426 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rpim | 0.033 | 0.426 |
| Number of reflections | 52809 | 7651 |
| <I/σ(I)> | 10.5 | 2 |
| Completeness [%] | 99.3 | 99.1 |
| Redundancy | 4.5 | 4.5 |
| CC(1/2) | 0.999 | 0.809 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 295 | 15% Jeffamine SD-2001, 0.1 M Na citrate pH 5.4 |
