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 |