3TN9

X-ray structure of the HRV2 empty capsid (B-particle)

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	2008-10-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	314.010, 356.850, 382.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.000
R-factor	0.2654
Rwork	0.265
R-free	0.26460
Structure solution method	RIGID BODY FITTING
Starting model (for MR)	Native HRV2 structure PDB entry 1FPN
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	DM (6.1)
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	260.920	60.746	3.150
High resolution limit [Å]	2.993	9.450	3.000
Rmerge	0.199	0.135	0.451
Total number of observations		68060	29881
Number of reflections	308652
<I/σ(I)>	5.7	4.1	1.4
Completeness [%]	72.7	90.5	40.3
Redundancy	3.2	5.4	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M sodium acetate pH 6.5 - 8.0, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M sodium acetate pH 6.5 - 8.0, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K