3CZT
Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 9
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 | 2004-12-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91853 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 34.980, 89.260, 59.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.800 - 1.400 |
| R-factor | 0.164 |
| Rwork | 0.162 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mho |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.485 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.800 | 1.550 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.052 | 0.213 |
| Number of reflections | 18236 | 4340 |
| <I/σ(I)> | 18.42 | 5.1 |
| Completeness [%] | 97.0 | 89.4 |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 291 | 0.02 M TAPS, pH 9.0, 30% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
