3DDK

Coxsackievirus B3 3Dpol RNA Dependent RNA Polymerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	173
Detector technology	CCD
Collection date	2006-01-13
Detector	NOIR-1
Wavelength(s)	1.00
Spacegroup name	P 43 21 2
Unit cell lengths	74.360, 74.360, 288.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.580 - 2.250
R-factor	0.204
Rwork	0.201
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1RA6 - poliovirus polymerase
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.580	52.580	2.330
High resolution limit [Å]	2.250	4.850	2.250
Rmerge	0.051	0.035	0.243
Total number of observations		56328	3435
Number of reflections	35017
<I/σ(I)>	33	54.6	3
Completeness [%]	88.5	99.9	41.4
Redundancy	9.32	12.64	1.78

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	1.5M ammonium sulfate, 25% glycerol, 200 mM NaCl (unbuffered), pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K