1QHQ
AURACYANIN, A BLUE COPPER PROTEIN FROM THE GREEN THERMOPHILIC PHOTOSYNTHETIC BACTERIUM CHLOROFLEXUS AURANTIACUS
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 1997-09 |
| Detector | ADSC QUANTUM 1 |
| Wavelength(s) | 0.7817,1.3050,1.3779,1.3799,1.3876,1.5418 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 115.739, 115.739, 54.549 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 1.550 |
| R-factor | 0.198 * |
| Rwork | 0.198 |
| R-free | 0.23300 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 0.018 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.093 * | 0.225 * |
| Total number of observations | 538869 * | |
| Number of reflections | 29884 | |
| <I/σ(I)> | 20 | 4 |
| Completeness [%] | 93.5 | 98.3 |
| Redundancy | 3 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.6 * | HEPES PH 7.5, 2M LI2SO4, pH 7.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6.5 (mg/ml) | |
| 2 | 1 | drop | Tris | 20 (mM) | |
| 3 | 1 | drop | 10 (mM) | ||
| 4 | 1 | reservoir | HEPES | 100 (mM) | |
| 5 | 1 | reservoir | 2 (M) |
