8UAT
Thermus scotoductus SA-01 Ene-reductase Compound 3b Complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-10 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 0.95374 |
Spacegroup name | P 1 |
Unit cell lengths | 97.852, 100.471, 100.407 |
Unit cell angles | 89.80, 65.75, 89.92 |
Refinement procedure
Resolution | 48.750 - 2.760 |
R-factor | 0.2335 |
Rwork | 0.233 |
R-free | 0.27140 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.013 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.750 | 2.800 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.222 | 1.234 |
Rmeas | 0.287 | 1.614 |
Rpim | 0.179 | 1.024 |
Total number of observations | 201370 | 5252 |
Number of reflections | 86497 | 2582 |
<I/σ(I)> | 2.8 | 0.4 |
Completeness [%] | 94.9 | |
Redundancy | 2.3 | 2 |
CC(1/2) | 0.956 | 0.164 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298.15 | 15% isopropanol, 0.1 M sodium citrate, pH 5, containing 10% w/v PEG10000 |