1I53
RE(I)-TRICARBONYL DIIMINE (Q107H)) AZURIN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-06-29 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 35.000, 42.870, 48.510 |
| Unit cell angles | 80.52, 77.69, 66.97 |
Refinement procedure
| Resolution | 24.560 - 1.800 |
| R-factor | 0.238 |
| Rwork | 0.238 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bex |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.890 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.061 | 0.112 |
| Number of reflections | 20201 * | |
| <I/σ(I)> | 20.4 | |
| Completeness [%] | 86.0 | 83 |
| Redundancy | 2.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.5 * | 295 | CuCl2, Imidazole, LiNo3, PEG 8K, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 26 (mg/ml) | |
| 2 | 1 | drop | HEPES | 25 (mM) | |
| 3 | 1 | reservoir | PEG8000 | 20 (%) | |
| 4 | 1 | reservoir | imidazol | 100 (mM) |
