3IQO
1.5 angstrom X-ray structure of bovine Ca(2+)-S100B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-10 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 89.637, 35.044, 58.113 |
Unit cell angles | 90.00, 92.62, 90.00 |
Refinement procedure
Resolution | 32.630 - 1.500 |
R-factor | 0.202 |
Rwork | 0.200 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mho |
RMSD bond length | 0.015 |
RMSD bond angle | 1.333 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (1.3.3) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.630 | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
Rmerge | 0.061 | 0.040 | 0.247 |
Number of reflections | 26110 | ||
<I/σ(I)> | 20.1 | ||
Completeness [%] | 89.4 | 64.9 | 72.7 |
Redundancy | 2.6 | 2.5 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | sitting drop | 6.3 | 295 | 25% PEG3350, 7.5mM CaCl2, 100mM Cacodylate buffer, pH 6.3, sitting drop, temperature 295K |