4ZPA

Coxsackievirus B3 Polymerase - F364Y mutant

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
Collection date	2014-07-31
Detector	ADSC QUANTUM 210
Wavelength(s)	1.00
Spacegroup name	P 43 21 2
Unit cell lengths	73.937, 73.937, 287.811
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.563 - 2.665
R-factor	0.2113
Rwork	0.207
R-free	0.25150
RMSD bond length	0.009
RMSD bond angle	0.971
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.563		2.830
High resolution limit [Å]	2.665	7.930	2.660
Rmerge	0.128	0.044	0.950
Rmeas	0.134
Total number of observations	279454
Number of reflections	23367
<I/σ(I)>	18.95	45.27	3.01
Completeness [%]	97.9	99.7	86.5
Redundancy	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	0.085 M Tris pH 7.5, 1.2 M Ammonium Sulfate , 25% Glycerol