5G3B
Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 287 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 93.744, 110.332, 96.484 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.687 - 1.690 |
R-factor | 0.1409 |
Rwork | 0.139 |
R-free | 0.17890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yae |
RMSD bond length | 0.018 |
RMSD bond angle | 1.584 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.720 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.050 | |
Number of reflections | 64734 | |
Completeness [%] | 98.1 | 96 |
Redundancy | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |