3PAV
The reduced form of CueO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-12 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | .9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.943, 90.200, 52.115 |
| Unit cell angles | 90.00, 102.31, 90.00 |
Refinement procedure
| Resolution | 33.700 - 1.450 |
| R-factor | 0.17587 |
| Rwork | 0.174 |
| R-free | 0.20231 |
| Structure solution method | Starting model 1KV7 |
| Starting model (for MR) | 1kv7 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.359 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.700 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.073 | 0.410 |
| Number of reflections | 81043 | |
| <I/σ(I)> | 8 | 2.1 |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 16% POLYETHYLENE GLYCOL 4000, 0.2 M REMARK 280 AMMONIUM ACETATE, 0.1 M SODIUM ACETATE, PH 4.6; , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
