8X33
crystal structure of the CobH-like domain in cobalt regulator CoaR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-06 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 61 |
| Unit cell lengths | 96.236, 96.236, 148.889 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.120 - 3.200 |
| R-factor | 0.1879 |
| Rwork | 0.185 |
| R-free | 0.23420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.349 |
| Data reduction software | autoPROC |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.340 | 3.370 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.402 | 2.350 |
| Rmeas | 0.430 | 2.510 |
| Rpim | 0.149 | 0.875 |
| Number of reflections | 12954 | 1856 |
| <I/σ(I)> | 5.2 | 1.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.2 | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | Bis-Tris, (NH4)2SO4, PEG3350 |
