3LK1
X-ray structure of bovine SC0322,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 | 2008-08-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97607 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 35.194, 88.792, 58.996 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.500 - 1.790 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.427 |
| 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] | 50.000 | 50.000 | 1.860 |
| High resolution limit [Å] | 1.790 | 3.880 | 1.800 |
| Rmerge | 0.057 | 0.044 | 0.308 |
| Number of reflections | 7607 | ||
| <I/σ(I)> | 16.8 | ||
| Completeness [%] | 84.6 | 93.3 | 33.4 |
| Redundancy | 5.9 | 6.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 298 | PEGMME550, CaCl2, MgCl2, SC0322, HEPES buffer, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
