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 |