8YTR
The structure of Cu(II)-CopC from Thioalkalivibrio paradoxus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 28.241, 38.275, 104.666 |
| Unit cell angles | 90.00, 90.33, 90.00 |
Refinement procedure
| Resolution | 52.390 - 1.800 |
| R-factor | 0.18775 |
| Rwork | 0.186 |
| R-free | 0.22996 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.971 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 104.660 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.129 | 0.735 |
| Rmeas | 0.140 | 0.798 |
| Rpim | 0.054 | 0.307 |
| Total number of observations | 137790 | 8112 |
| Number of reflections | 21085 | 1238 |
| <I/σ(I)> | 6.4 | 1.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.5 | 6.6 |
| CC(1/2) | 0.995 | 0.858 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 288 | 0.2M Ammonium formate pH 6.6, 20% PEG 3350 |
