8UAJ
Succinate Bound Crystal Structure of Thermus scotoductus SA-01 Ene-reductase
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 EIGER X 16M |
Wavelength(s) | 0.95374 |
Spacegroup name | P 1 2 1 |
Unit cell lengths | 98.642, 101.182, 101.182 |
Unit cell angles | 90.00, 113.92, 90.00 |
Refinement procedure
Resolution | 49.120 - 2.140 |
R-factor | 0.1753 |
Rwork | 0.175 |
R-free | 0.19840 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.620 |
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] | 49.120 | 2.170 |
High resolution limit [Å] | 2.130 | 2.130 |
Rmerge | 0.152 | 0.675 |
Rmeas | 0.166 | 0.742 |
Rpim | 0.066 | 0.300 |
Total number of observations | 649720 | 16197 |
Number of reflections | 99650 | 3013 |
<I/σ(I)> | 8.6 | 1.6 |
Completeness [%] | 97.9 | |
Redundancy | 6.5 | 5.4 |
CC(1/2) | 0.989 | 0.732 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.15 | 0.1M Succinic acid, 0.1 M bicine, 30% MPEG 550 |