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 |