3POW
Crystal structure of the globular domain of human calreticulin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-24 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.8726 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.890, 70.390, 91.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.550 |
R-factor | 0.1769 |
Rwork | 0.176 |
R-free | 0.19060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pos |
RMSD bond length | 0.010 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (BUSTER 2.8.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.640 | |
High resolution limit [Å] | 1.540 | 4.550 | 1.540 |
Number of reflections | 39833 | 299 | 847 |
Completeness [%] | 96.8 | 2.4 | 1.5 |
Redundancy | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 277.1 | 30% PEG 4000, 0.2M ammonium acetate, 10mM magnesium acetate, and either 0.05M MES (pH 5.7 or 6.0), or 0.05M HEPES (pH 7.0), VAPOR DIFFUSION, temperature 277.1K |