5W1N

Crystal structure of the human astrovirus 2 Oxford serotype capsid protein spike at 1.35-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	2016-02-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033029
Spacegroup name	P 1 21 1
Unit cell lengths	68.630, 71.940, 92.810
Unit cell angles	90.00, 111.22, 90.00

Refinement procedure

Resolution	43.974 - 1.348
R-factor	0.1575
Rwork	0.156
R-free	0.18380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kou
RMSD bond length	0.007
RMSD bond angle	0.962
Data reduction software	iMOSFLM (7.1.1)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	86.517	43.974	1.420
High resolution limit [Å]	1.348	4.260	1.350
Rmerge		0.108	0.301
Rmeas	0.112	0.136	0.339
Rpim	0.053	0.080	0.154
Total number of observations	816628	12313	112053
Number of reflections	177824
<I/σ(I)>	10.4	12	4.8
Completeness [%]	96.3	75	93.6
Redundancy	4.6	2.8	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	20% PEG 3350, 0.2M Magnesium Acetate, 0.1M HEPES buffer.