9JQ8
Roadblock2 homodimer structure from Candidatus Prometheoarchaeum syntrophicum strain MK-D1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-08 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.245, 33.470, 58.219 |
| Unit cell angles | 90.00, 111.86, 90.00 |
Refinement procedure
| Resolution | 19.400 - 1.790 |
| R-factor | 0.1942 |
| Rwork | 0.192 |
| R-free | 0.23880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.941 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.400 | 1.910 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.056 | 0.761 |
| Rmeas | 0.068 | 0.944 |
| Rpim | 0.038 | 0.551 |
| Number of reflections | 16790 | 2734 |
| <I/σ(I)> | 21.3 | 1.06 |
| Completeness [%] | 97.1 | 95.73 |
| Redundancy | 2.9 | 2.5 |
| CC(1/2) | 0.570 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 0.1 M MIB (malonic acid, imidazole, and boric acid (2:3:3 molar ratio), 25% w/v PEG 1500 |
