7UXT
Crystal structure of ligand-free SeThsA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-05 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 98.808, 274.359, 89.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.980 - 3.400 |
| R-factor | 0.238 |
| Rwork | 0.235 |
| R-free | 0.29120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Alphafold model of SeThsA |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.641 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.960 | 3.670 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.112 | 1.307 |
| Rmeas | 0.123 | 1.422 |
| Rpim | 0.049 | 0.555 |
| Number of reflections | 17169 | 3473 |
| <I/σ(I)> | 6.7 | 1.4 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6.1 | 6.3 |
| CC(1/2) | 0.995 | 0.396 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M MES, pH 6.0, 0.2 M potassium sodium tartrate tetrahydrate, 28-30% PEG smear low |
