9FE6
Short-chain dehydrogenase/reductase (SDR) from Thermus caliditerrae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000053 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.673, 122.989, 163.347 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 98.250 - 1.875 |
| R-factor | 0.2187 |
| Rwork | 0.217 |
| R-free | 0.24460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.940 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.253 | 2.162 |
| High resolution limit [Å] | 1.875 | 1.875 |
| Rmerge | 0.140 | 1.489 |
| Rpim | 0.039 | 0.405 |
| Number of reflections | 49723 | 2486 |
| <I/σ(I)> | 10.6 | 1.9 |
| Completeness [%] | 93.0 | |
| Redundancy | 13.7 | 14.4 |
| CC(1/2) | 0.998 | 0.722 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 0.1M Tris, 0.3M magnesium formate |
