2H61
X-ray structure of human Ca2+-loaded S100B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.400, 81.600, 71.500 |
| Unit cell angles | 90.00, 107.00, 90.00 |
Refinement procedure
| Resolution | 30.320 - 1.900 |
| Rwork | 0.174 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mho |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.723 |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.078 | 0.315 |
| Number of reflections | 63871 | |
| <I/σ(I)> | 15.8 | 4.9 |
| Completeness [%] | 99.0 | 94.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 289 | 0.1 M HEPES, 18-20%PEG400, 0.2 M CaCl2, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
