1K9K
CRYSTAL STRUCTURE OF CALCIUM BOUND HUMAN S100A6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-12-07 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 56.610, 58.439, 51.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.200 - 1.760 |
| R-factor | 0.185 |
| Rwork | 0.185 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PSORIASIN S100A7 (PBD # 1PSR) |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.340 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.200 | 1.890 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.062 | 0.192 |
| Total number of observations | 74706 * | |
| Number of reflections | 16853 | |
| <I/σ(I)> | 9.9 | |
| Completeness [%] | 97.4 | 96.6 |
| Redundancy | 4.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 * | 20 * | 20% PEG 5000 MME, 30 mM TRIS-HCL, 8% GLYCEROL, pH 7.8, 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 | 6 (mM) | ||
| 5 | 1 | drop | protein | 20 (mg/ml) | |
| 6 | 1 | reservoir | PEG5000 MME | 20 (%) | |
| 7 | 1 | reservoir | Tris-HCl | 30 (mM) | pH7.8 |
| 8 | 1 | reservoir | glycerol | 8 (%) |
