3RH1
X-ray Structure of a cis-proline (P114) to alanine variant of Ribonuclease A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-12-12 |
| Detector | ENRAF-NONIUS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 63.750, 63.750, 63.830 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.182 |
| Rwork | 0.182 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB code 1FS3 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.098 | 0.378 |
| Number of reflections | 8996 | |
| <I/σ(I)> | 16.5 | 5 |
| Completeness [%] | 98.8 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | 35% ammonium sulphate, 50% NaCl, 0.1M sodium acetate pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
