1K9P
CRYSTAL STRUCTURE OF CALCIUM FREE (OR APO) HUMAN S100A6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-11-04 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 37.444, 47.982, 82.984 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.176 |
| Rwork | 0.176 |
| R-free | 0.18200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CALCIUM FREE S100A6 CYS3MET MUTANT (SELENOMETHIONINE DERIVATIVE)(PDB # 1K8U) |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.280 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.069 | 0.087 |
| Total number of observations | 40635 * | |
| Number of reflections | 6136 | |
| <I/σ(I)> | 13.3 | |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 6.6 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 * | 20 * | 28% PEG 1500, 30 mM SODIUM CACODYLATE, 6% GLYCEROL,EGTA 2MM, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | sodium cacodylate | 5 (mM) | pH6.5 |
| 2 | 1 | drop | beta-mercaptoethanol | 2.5 (mM) | |
| 3 | 1 | drop | L-cysteine | 4 (mM) | |
| 4 | 1 | drop | EGTA | 2 (mM) | |
| 5 | 1 | drop | protein | 20 (mg/ml) | |
| 6 | 1 | reservoir | PEG1500 | 28 (%) | |
| 7 | 1 | reservoir | sodium cacodylate | 30 (mM) | pH7.0 |
| 8 | 1 | reservoir | glycerol | 6 (%) |
