3N7D
Crystal structure of CopK bound to Cu(I) and Cu(II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.3776 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 49.725, 50.343, 52.053 |
| Unit cell angles | 90.00, 116.88, 90.00 |
Refinement procedure
| Resolution | 24.852 - 2.149 |
| R-factor | 0.224 |
| Rwork | 0.219 |
| R-free | 0.27600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dso |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.989 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.5_2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.149 | 2.149 |
| Rmerge | 0.059 | 0.164 |
| Number of reflections | 6136 | |
| <I/σ(I)> | 15.2 | 8.7 |
| Completeness [%] | 97.0 | 96.4 |
| Redundancy | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.8 | 298 | 0.1M sodium acetate pH 3.8, 0.2M ammonium acetate, 32% (w/v) PEG 4000, 22mM NiCl2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
