7F8M
Roadblock from Thorarchaeota SMTZ1-45
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 | CCD |
| Collection date | 2020-03-12 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1 |
| Spacegroup name | P 31 |
| Unit cell lengths | 58.982, 58.982, 193.952 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.140 |
| Rwork | 0.191 |
| R-free | 0.26000 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.243 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.190 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Rmerge | 0.085 | 0.599 |
| Rmeas | 0.689 | |
| Rpim | 0.043 | 0.332 |
| Number of reflections | 40561 | 3449 |
| <I/σ(I)> | 35.2 | 2.3 |
| Completeness [%] | 99.0 | 98 |
| Redundancy | 4.8 | 3.6 |
| CC(1/2) | 0.664 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 100 mM CH3COONa pH 5.0, 200 mM LiCl 16% PEG 6000 |
