2CCM
X-ray structure of Calexcitin from Loligo pealeii at 1.8A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-14 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.635, 69.222, 134.787 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.300 - 1.800 |
| R-factor | 0.1906 |
| Rwork | 0.191 |
| R-free | 0.24880 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.924 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.300 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.060 | 0.370 |
| Number of reflections | 40926 | |
| <I/σ(I)> | 22.5 | 2.3 |
| Completeness [%] | 99.1 | 97.5 |
| Redundancy | 9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 30% PEG 4K, 0.2 M AMMONIUM ACETATE WITH 0.1 M SODIUM CITRATE AT PH 5.0 - 6.5 AND [PROTEIN]= 3 MG/ML |
