2RGI
Crystal structure of Ca2+-free S100A2 at 1.6 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-13 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97927 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.516, 57.820, 59.794 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.280 - 1.600 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | MODEL based S100A3 pdb code 1KSO |
RMSD bond length | 0.014 |
RMSD bond angle | 1.445 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 1.800 | ||
High resolution limit [Å] | 1.600 | 10.000 | 1.600 |
Rmerge | 0.086 | 0.023 | 0.560 |
Number of reflections | 20053 | 88 | 5723 |
<I/σ(I)> | 14.59 | 37.1 | 3.7 |
Completeness [%] | 97.7 | 79.3 | 95.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.4 | 293 | 0.1 M sodium acetate, 10% isopropanol, 35-40% PEG 4000, pH 7.4, VAPOR DIFFUSION, temperature 293K |