8FJ8
Crystal structure of Mn(2+),Ca(2+)-S100B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 105 |
Detector technology | IMAGE PLATE |
Collection date | 2013-11-15 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.8843 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 34.598, 90.602, 58.087 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.300 - 2.170 |
R-factor | 0.2042 |
Rwork | 0.201 |
R-free | 0.25690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.988 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.090 | 2.240 |
High resolution limit [Å] | 2.170 | 2.170 |
Rmerge | 0.036 | 0.598 |
Number of reflections | 5043 | 1953 |
<I/σ(I)> | 23.6 | |
Completeness [%] | 98.6 | |
Redundancy | 5.8 | |
CC(1/2) | 0.999 | 0.703 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 293.15 | 29% PEG MME 550, 100mM Cacodylate pH 6.9, 7.5mM CaCl2 |