7T5T
Structure of Thauera sp. K11 CapP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97892 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 95.309, 95.309, 104.915 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.490 - 1.350 |
| R-factor | 0.1622 |
| Rwork | 0.162 |
| R-free | 0.16790 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.944 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.490 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.058 | 2.884 |
| Rpim | 0.016 | 0.853 |
| Number of reflections | 106052 | 5070 |
| <I/σ(I)> | 18.7 | 0.8 |
| Completeness [%] | 99.8 | |
| Redundancy | 13.1 | |
| CC(1/2) | 0.999 | 0.443 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M CHES pH 9.5, 1.8 M LiSO4, 0.3 M NaCl |
