3GK2
X-ray structure of bovine SBi279,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 | 34.224, 91.158, 58.649 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.600 - 1.984 |
| R-factor | 0.229 |
| Rwork | 0.227 |
| R-free | 0.28100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mho |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.525 |
| 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] | 45.600 | 45.000 | 2.070 |
| High resolution limit [Å] | 1.984 | 4.310 | 1.984 |
| Rmerge | 0.049 | 0.032 | 0.233 |
| Number of reflections | 6299 | ||
| <I/σ(I)> | 27.849 | ||
| Completeness [%] | 95.4 | 88.3 | 77.2 |
| Redundancy | 6.3 | 6.4 | 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 |
