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 |
