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 |
