2GI0
Crystal structure of Cu(I) Phe114Pro Azurin mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-10-25 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.390, 47.860, 132.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.800 - 1.700 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.22400 |
| Structure solution method | Direct use of Cu(II) structure in refinement |
| Starting model (for MR) | 2ghz |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.528 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.275 | 1.790 |
| High resolution limit [Å] | 1.551 | 1.700 |
| Rmerge | 0.065 | 0.287 |
| Total number of observations | 16231 | |
| Number of reflections | 24113 | 3111 |
| <I/σ(I)> | 6 | 2.4 |
| Completeness [%] | 94.1 | 85.6 |
| Redundancy | 4.9 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 25% PEG1500, 100mM MMT buffer, pH4. To generate Cu(I), Cu(II) containing crystals were reduced by soaking in reservoir solution with 10mM ascorbate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
