4K4Y

Coxsackievirus B3 polymerase elongation complex (r2+1_form)

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]	100
Detector technology	CCD
Detector	NOIR-1
Wavelength(s)	1.00
Spacegroup name	P 1
Unit cell lengths	60.373, 60.402, 194.026
Unit cell angles	89.92, 89.96, 79.75

Refinement procedure

Resolution	43.762 - 2.720
R-factor	0.2015
Rwork	0.199
R-free	0.24690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.166
Data reduction software	d*TREK (9.9.8.0L)
Data scaling software	d*TREK
Phasing software	PHENIX
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.060	45.060	2.820
High resolution limit [Å]	2.720	5.860	2.720
Rmerge	0.097	0.066	0.422
Total number of observations		13754	13538
Number of reflections	70840
<I/σ(I)>	5	11.6	1.6
Completeness [%]	97.8	97.1	97.5
Redundancy	1.92	1.92	1.92

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.17 M sodium acetate, 0.085 M Tris, 25.5% PEG 4000, and 15% glycerol and directly frozen , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K