2C9P
Cu(I)Cu(II)-CopC at pH 4.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 104.510, 104.510, 55.519 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.250 |
R-factor | 0.194 |
Rwork | 0.190 |
R-free | 0.26400 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.952 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.080 | 0.390 |
Number of reflections | 16159 | |
<I/σ(I)> | 13.7 | 3.1 |
Completeness [%] | 96.1 | 97.4 |
Redundancy | 4.9 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.5 | 4.4-5.2 AMMONIUM NITRATE, 0.1 M SODIUM ACETATE PH 4.6-4.8 |