1EDH
E-CADHERIN DOMAINS 1 AND 2 IN COMPLEX WITH CALCIUM
Experimental procedure
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 113 |
Detector technology | CCD |
Collection date | 1995-04-03 |
Detector | PRINCETON 2K |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 121.657, 80.802, 72.635 |
Unit cell angles | 90.00, 116.65, 90.00 |
Refinement procedure
Resolution | 5.000 - 2.000 |
R-factor | 0.206 |
Rwork | 0.206 |
R-free | 0.26200 |
Structure solution method | THE INITIAL MODEL WAS OBTAINED FROM A COMBINATION OF MULTI-WAVELENGTH ANOMALOUS DIFFRACTION (MAD) AND REAL SPACE AVERAGING TECHNIQUES. THE MAD DATA WAS TAKEN AT THE MERCURY L(III) EDGE AT 3 DIFFERENT WAVELENGTHS (CHESS BEAMLINE F2). REAL SPACE AVERAGING WAS USED TO IMPROVE THE MAPS. |
RMSD bond length | 0.006 |
RMSD bond angle | 26.966 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASES |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.053 * | |
Total number of observations | 86202 * | |
Number of reflections | 37605 | |
<I/σ(I)> | 13 | |
Completeness [%] | 88.3 | 63.6 |
Redundancy | 2.3 | 1.59 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7.25 * | 1.2 M AMMONIUM SULFATE 0.01 M CALCIUM CHLORIDE 0.1 M TRIS-HCL BUFFER, PH 9.0 0.003 M SODIUM AZIDE |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 11 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 20 (mM) | |
3 | 1 | drop | dithiothreitol | 5 (mM) | |
4 | 1 | drop | sodium azide | 0.05 (mM) | |
5 | 1 | reservoir | ammonium sulfate | 1.2 (M) | |
6 | 1 | reservoir | calcium chloride | 5-10 (mM) | |
7 | 1 | reservoir | Tris-HCl | 100 (mM) | |
8 | 1 | reservoir | sodium azide | 3 (mM) |