3R4D

Crystal structure of mouse coronavirus receptor-binding domain complexed with its murine receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97914
Spacegroup name	P 61 2 2
Unit cell lengths	76.380, 76.380, 942.090
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 3.100
Rwork	0.248
R-free	0.30819
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.684
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.050
High resolution limit [Å]	3.000	8.130	3.000
Number of reflections	33862
<I/σ(I)>	20.9		6.28
Completeness [%]	96.1	75.2	96.5
Redundancy			7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10% PEG6000 and 0.2M CaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP		277	10% PEG6000 and 0.2M CaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 277K