6STX
Copper oxidase from Colletotrichum graminicola
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-21 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.91587 |
Spacegroup name | I 2 3 |
Unit cell lengths | 172.327, 172.327, 172.327 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 121.850 - 1.900 |
R-factor | 0.1821 |
Rwork | 0.180 |
R-free | 0.21870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ryv |
RMSD bond length | 0.010 |
RMSD bond angle | 1.639 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 121.850 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.143 | 2.646 |
Rpim | 0.549 | |
Number of reflections | 66778 | 4284 |
<I/σ(I)> | 13.9 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 24.4 | 25.1 |
CC(1/2) | 0.999 | 0.631 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | PEG 2000 MME, ammonium sulphate, sodium acetate |