3D10
Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 10.0
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 | 2005-02-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0089 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.750, 58.180, 47.850 |
| Unit cell angles | 90.00, 111.08, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.650 |
| R-factor | 0.212 |
| Rwork | 0.209 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2H61 chain A and B |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.907 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.600 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.134 | 0.440 |
| Number of reflections | 25152 | 2236 |
| <I/σ(I)> | 5.34 | 2 |
| Completeness [%] | 98.6 | 95.8 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 10 | 291 | 0.02 M CAPS pH 10.0, 23% PEG5000MME, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
