3S7X

Unassembled Washington University Polyomavirus VP1 Pentamer R198K Mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9330
Spacegroup name	P 43 21 2
Unit cell lengths	166.200, 166.200, 127.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.360 - 2.900
R-factor	0.23545
Rwork	0.234
R-free	0.25296
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.197
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.980
High resolution limit [Å]	2.900	2.900
Rmerge	0.096	0.578
Number of reflections	39647
<I/σ(I)>	11.1	1.8
Completeness [%]	98.8	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	282	0.2 M trisodium citrate, 0.1 M HEPES pH 7.5, 20 % (v/v) isopropanol, VAPOR DIFFUSION, SITTING DROP, temperature 282K