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 |