3DH2
Crystal structure of ribonuclease Sa2 with guanosine-3'-cyclophosphate prepared by cocrystallization
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 2001-11-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 108.192, 62.648, 68.299 |
| Unit cell angles | 90.00, 129.18, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.250 |
| R-factor | 0.20167 |
| Rwork | 0.199 |
| R-free | 0.25921 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1py3 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.604 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.280 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.110 | 0.325 |
| Number of reflections | 16347 | |
| <I/σ(I)> | 11.4 | 2.2 |
| Completeness [%] | 96.9 | 75 |
| Redundancy | 3.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 2.2 M ammonium sulfate, phosphate buffer pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
