1F4O
CRYSTAL STRUCTURE OF GRANCALCIN WITH BOUND CALCIUM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-02-04 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.370, 50.320, 77.560 |
| Unit cell angles | 90.00, 108.17, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| Rwork | 0.228 |
| R-free | 0.28400 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.220 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.078 | 0.325 |
| Total number of observations | 31679 * | |
| Number of reflections | 12026 | |
| <I/σ(I)> | 9.6 | |
| Completeness [%] | 96.2 | 95.9 |
| Redundancy | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 293 | PEG8000, Glycerol, Calcium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 50 (mM) | |
| 2 | 1 | drop | dithiothreitol | 2 (mM) | |
| 3 | 1 | drop | PMSF | 0.5 (mM) | |
| 4 | 1 | drop | EGTA | 5 (mM) | |
| 5 | 1 | reservoir | HEPES | 100 (mM) | |
| 6 | 1 | reservoir | glycerol | 15 (%) | |
| 7 | 1 | reservoir | PEG8000 | 10-15 (%(w/v)) | |
| 8 | 1 | reservoir | 5 (mM) |
