1F4Q
CRYSTAL STRUCTURE OF APO GRANCALCIN
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 | 1999-06-13 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.400, 81.100, 46.700 |
| Unit cell angles | 90.00, 111.30, 90.00 |
Refinement procedure
| Resolution | 6.000 - 1.900 |
| Rwork | 0.213 |
| R-free | 0.24900 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.020 |
| 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] | 1.900 | 1.900 |
| Rmerge | 0.053 | 0.214 |
| Total number of observations | 96346 * | |
| Number of reflections | 25454 | |
| <I/σ(I)> | 14.6 | |
| Completeness [%] | 95.8 | 94.1 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 293 | sodium acetate, sodium chloride, ammonium phosphate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, 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 | sodium acetate | 0.1 (M) | |
| 6 | 1 | reservoir | 0.1 (M) | ||
| 7 | 1 | reservoir | ammonium phosphate | 1 (M) |
