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 |