5D97
Neutron crystal structure of H2O-solvent ribonuclease A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | NUCLEAR REACTOR |
| Source details | JRR-3M BEAMLINE 1G-A |
| Synchrotron site | JRR-3M |
| Beamline | 1G-A |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-08-16 |
| Detector | MACSCIENCE |
| Wavelength(s) | 2.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.340, 38.369, 53.188 |
| Unit cell angles | 90.00, 105.75, 90.00 |
Refinement procedure
| Resolution | 30.700 - 1.800 |
| R-factor | 0.2204 |
| Rwork | 0.220 |
| R-free | 0.22230 |
| RMSD bond length | 0.089 |
| RMSD bond angle | 1.000 |
| Data reduction software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.700 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.154 | 0.281 |
| Number of reflections | 7979 | |
| <I/σ(I)> | 5.6 | 2.9 |
| Completeness [%] | 72.5 | 48.4 |
| Redundancy | 2.3 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 5.8 | 293 | 20 mg/mL ribonuclease A, 0.05 M sodium acetate, 50% 2-propanol |
