3D4A
Crystal structure of ribonuclease Sa2 with 3'-GMP obtained by ligand diffusion
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 | 101.521, 65.913, 56.966 |
Unit cell angles | 90.00, 100.92, 90.00 |
Refinement procedure
Resolution | 19.880 - 2.200 |
R-factor | 0.2228 |
Rwork | 0.220 |
R-free | 0.26460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1py3 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.520 |
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 | 0.038 | 0.162 |
Number of reflections | 16671 | |
<I/σ(I)> | 17 | 4.1 |
Completeness [%] | 88.4 | 59.7 |
Redundancy | 1.9 | 1.7 |
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 |