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