3A1R
Neutron crystal structure analysis of bovine pancreatic ribonuclease A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | NUCLEAR REACTOR |
| Source details | JRR-3M BEAMLINE 1G-B |
| Synchrotron site | JRR-3M |
| Beamline | 1G-B |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-08-22 |
| Detector | MACSCIENCE |
| Wavelength(s) | 2.6 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.380, 38.558, 53.398 |
| Unit cell angles | 90.00, 105.78, 90.00 |
Refinement procedure
| Resolution | 30.840 - 1.700 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kf4 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.086 | 0.210 |
| Number of reflections | 15039 | |
| <I/σ(I)> | 8.4 | 3.07 |
| Completeness [%] | 64.0 | 19.5 |
| Redundancy | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.2 | 298 | 50% tert-butyl alcohol, temperature 298K, then the crystal was soaked in heavy water solution, PH6.2, for two months, BATCH |
