2H2K
Crystal Structure Analysis of Human S100A13
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-04-02 |
Detector | RIGAKU |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.196, 60.665, 78.536 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.000 - 2.000 |
R-factor | 0.217 |
Rwork | 0.213 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k96 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.370 |
Data reduction software | CrystalClear |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.066 | 0.229 |
Number of reflections | 13373 | |
Completeness [%] | 98.2 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 25% PEGmme 550, 10mM CaCl2, 0.1M Na-Cacodylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |