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 |