5EWO

Crystal structure of the human astrovirus 1 capsid protein spike domain at 0.95-A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-13
Detector	MAR CCD 165 mm
Wavelength(s)	1.033
Spacegroup name	P 41 21 2
Unit cell lengths	103.230, 103.230, 41.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.122 - 0.950
R-factor	0.1319
Rwork	0.131
R-free	0.14250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qsq
Data reduction software	MOSFLM (3.3.21)
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	16.210	16.210	1.000
High resolution limit [Å]	0.950	3.000	0.950
Rmerge	0.073	0.051	0.455
Rmeas	0.079
Rpim	0.030	0.022	0.022
Total number of observations	756406	22751	60237
Number of reflections	141071
<I/σ(I)>	13.7	27.1	3.1
Completeness [%]	90.5	76.2	67.4
Redundancy	6	6.2	4.5
CC(1/2)	0.998	0.996	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	PEG 400, Ammonium sulfate , MES