3DI9
Crystal structure of bovine pancreatic ribonuclease A variant (I81A)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | ENRAF-NONIUS FR590 |
| Temperature [K] | 273 |
| Detector technology | CCD |
| Collection date | 2006-01-07 |
| Detector | Nonius Kappa CCD |
| Wavelength(s) | 0.7107 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 63.982, 63.982, 63.716 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 2.000 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fs3 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 99.000 | 99.000 | 1.560 |
| High resolution limit [Å] | 1.510 | 3.250 | 1.510 |
| Rmerge | 0.114 | 0.085 | 0.552 |
| Number of reflections | 23507 | ||
| <I/σ(I)> | 10.6 | ||
| Completeness [%] | 94.9 | 91.6 | 66.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | ammonium sulfate, sodium chloride, sodium acetate, pH 6.0, vapor diffusion, hanging drop, temperature 298K |
