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) |