1BU3
REFINED CRYSTAL STRUCTURE OF CALCIUM-BOUND SILVER HAKE (PI 4.2) PARVALBUMIN AT 1.65 A.
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.710, 80.730, 42.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.650 |
| R-factor | 0.214 |
| Rwork | 0.214 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cpv |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.440 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.8) |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 8.000 |
| High resolution limit [Å] | 1.650 |
| Rmerge | 0.071 * |
| Total number of observations | 129847 * |
| Number of reflections | 15685 |
| Completeness [%] | 99.9 |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 6 | 4 * | pH 6.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 2.8-2.9 (M) | |
| 2 | 1 | reservoir | MES | 100 (mM) | |
| 3 | 1 | reservoir | 10 (mM) | ||
| 4 | 1 | reservoir | glycerol | 15 (%) | pH5.5-6.5 |
| 5 | 1 | drop | protain | 30 (mg/ml) |
