5KOU

Crystal structure of the human astrovirus 2 capsid protein spike domain at 1.87-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	2014-07-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033202
Spacegroup name	P 1
Unit cell lengths	44.070, 67.720, 90.530
Unit cell angles	76.53, 80.52, 86.29

Refinement procedure

Resolution	47.578 - 1.867
R-factor	0.1943
Rwork	0.193
R-free	0.21490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qsq
RMSD bond length	0.004
RMSD bond angle	0.706
Data reduction software	iMOSFLM (7.1.1)
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (6.5.0)
Refinement software	PHENIX ((1.10_2152: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.580	47.580	1.970
High resolution limit [Å]	1.867	5.900	1.867
Rmerge	0.073	0.035	0.445
Number of reflections	80310
<I/σ(I)>	7.3
Completeness [%]	96.3	94.4	93.6
Redundancy	2	1.9	2
CC(1/2)	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	PEG 3350, sodium citrate, ammonium sulfate