3CR2
X-ray structure of bovine Zn(2+),Ca(2+)-S100B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 34.587, 90.476, 58.301 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.220 - 1.880 |
| R-factor | 0.221 |
| Rwork | 0.219 |
| R-free | 0.26800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.543 |
| 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] | 45.000 | 45.000 | 1.950 |
| High resolution limit [Å] | 1.880 | 4.050 | 1.880 |
| Rmerge | 0.058 | 0.043 | 0.359 |
| Number of reflections | 7477 | ||
| <I/σ(I)> | 20.3 | ||
| Completeness [%] | 96.8 | 78.8 | 97.1 |
| Redundancy | 6.6 | 5.8 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | PEG3350, CaCl2, ZnCl2, Cacodylate buffer, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
