1GY1
Crystal structures of Ser86Asp and Met148Leu Rusticyanin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.098, 61.408, 53.346 |
| Unit cell angles | 90.00, 96.13, 90.00 |
Refinement procedure
| Resolution | 52.700 - 1.650 |
| R-factor | 0.165 * |
| Rwork | 0.166 |
| R-free | 0.18900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 1A8Z |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.700 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.051 | 0.211 |
| Total number of observations | 277815 * | |
| Number of reflections | 32189 | |
| <I/σ(I)> | 22.5 | 5 |
| Completeness [%] | 95.7 | 72.9 |
| Redundancy | 8.6 | 3.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 3.8 * | 20 * | pH 5.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | drop | sulphuric acid | 10 (mM) | pH3.8 |
| 3 | 1 | reservoir | 10 (mM) | ||
| 4 | 1 | reservoir | PEG8000 | 30 (%) | |
| 5 | 1 | reservoir | citric acid | 50 (mM) | pH5.0 |
