4FQO
Crystal Structure of Calcium-Loaded S100B Bound to SBi4211
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-07-27 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 63.079, 63.079, 48.998 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.600 - 1.650 |
R-factor | 0.1995 |
Rwork | 0.199 |
R-free | 0.21370 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.434 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (refmac_5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.680 |
High resolution limit [Å] | 1.650 | 4.480 | 1.650 |
Rmerge | 0.068 | 0.058 | 0.651 |
Number of reflections | 12333 | ||
<I/σ(I)> | 12.1 | ||
Completeness [%] | 99.6 | 92.6 | 100 |
Redundancy | 13.5 | 11.3 | 13.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.21 | 295 | PEG3350, sodium cacodylate, calcium chloride, pH 7.21, VAPOR DIFFUSION, SITTING DROP, temperature 295K |