3D0Y
Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 6.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.890, 58.150, 47.660 |
| Unit cell angles | 90.00, 111.12, 90.00 |
Refinement procedure
| Resolution | 13.000 - 1.500 |
| R-factor | 0.20835 |
| Rwork | 0.206 |
| R-free | 0.26057 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2H61 chain A and B |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.525 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.000 | 1.600 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.077 | 0.517 |
| Number of reflections | 27707 | |
| <I/σ(I)> | 8.54 | 2.3 |
| Completeness [%] | 97.0 | 93.4 |
| Redundancy | 3.9 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1 M MES pH 6.5 21% PEG5000MME, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
