3D5I
Crystal structure of ribonuclease Sa2 with exo-2',3'-cyclophosphorotioate
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 | 2001-11-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.221, 66.775, 57.070 |
| Unit cell angles | 90.00, 100.80, 90.00 |
Refinement procedure
| Resolution | 19.940 - 2.200 |
| R-factor | 0.2103 |
| Rwork | 0.208 |
| R-free | 0.26237 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1py3 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.555 |
| 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 | 2.257 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.055 | 0.212 |
| Number of reflections | 19754 | |
| <I/σ(I)> | 18 | 4.7 |
| Completeness [%] | 90.2 | 65.4 |
| Redundancy | 3.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | ammonium sulfate, phosphate buffer, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
