5E6T

Crystal structure of bovine norovirus P domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97924
Spacegroup name	C 1 2 1
Unit cell lengths	112.920, 63.860, 87.560
Unit cell angles	90.00, 115.06, 90.00

Refinement procedure

Resolution	40.810 - 2.270
R-factor	0.1971
Rwork	0.195
R-free	0.24120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zl5
RMSD bond length	0.005
RMSD bond angle	0.783
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.3)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.810		2.280
High resolution limit [Å]	2.200	9.830	2.200
Rmerge	0.139	0.054	0.641
Rmeas	0.155	0.060	0.756
Total number of observations	144036
Number of reflections	28691	346	1959
<I/σ(I)>	10.53	28.73	2.79
Completeness [%]	98.9	97.2	92.1
Redundancy	5		4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	PEG 3350, Zinc acetate, imidazole