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 |
