4XC5

CRYSTAL STRUCTURE OF THE T1L REOVIRUS ATTACHMENT PROTEIN SIGMA1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-02-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	I 21 21 21
Unit cell lengths	112.930, 112.960, 113.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.320 - 2.200
R-factor	0.1932
Rwork	0.190
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4odb
RMSD bond length	0.010
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.130	1.318
Number of reflections	36975
<I/σ(I)>	11.7	1.6
Completeness [%]	98.9	99.2
Redundancy	5.1
CC(1/2)	0.998	0.561

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.1 M MES/ imidazole (pH 6.3-6.9), 11 % PEG 4000, 22 % glycerol, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M trisodium citrate, 0.02 M sodium potassium L-tartrate, and 0.02 M sodium oxamate