5U8Y
Crystal structure of Co-CAO1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-08-01 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97919 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 100.440, 100.440, 447.977 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.000 - 2.500 |
R-factor | 0.18656 |
Rwork | 0.185 |
R-free | 0.22257 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5u8x |
RMSD bond length | 0.011 |
RMSD bond angle | 1.507 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 2.650 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.281 | 2.930 |
Number of reflections | 91967 | |
<I/σ(I)> | 7.76 | 0.92 |
Completeness [%] | 99.5 | 99 |
Redundancy | 4.3 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 281 | sodium polyacrylat/HEPES pH 6.5 |