3GK1
X-ray structure of bovine SBi132,Ca(2+)-S100B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 34.666, 90.778, 58.994 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.410 - 2.100 |
R-factor | 0.208 |
Rwork | 0.206 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mho |
RMSD bond length | 0.014 |
RMSD bond angle | 1.828 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.410 | 45.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.042 | 0.028 | 0.277 |
Number of reflections | 5585 | ||
<I/σ(I)> | 37.481 | ||
Completeness [%] | 97.9 | 88.5 | 93.8 |
Redundancy | 6.4 | 6.2 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 28% PEG3350, 7.5mM CaCl2, 100mM Cacodylate buffer, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |