3LQE

X-Ray Structure of the Murine Norovirus (MNV)-1 Capsid Protein Protruding (P) Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-07-31
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.97856
Spacegroup name	C 2 2 21
Unit cell lengths	86.262, 105.219, 84.053
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.840 - 2.000
R-factor	0.2175
Rwork	0.215
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	crystal structure (in house)
RMSD bond length	0.026
RMSD bond angle	2.431
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.071
Number of reflections	24822
<I/σ(I)>	10	5
Completeness [%]	86.0	72
Redundancy	4.4	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	30% PEG 4000, 100 mM Tris, 20 mM sodium chloride, 200 mM lithium sulfate, , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K