4ZPD

Coxsackievirus B3 Polymerase - A345V 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	74.450, 74.450, 289.638
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.957 - 1.797
R-factor	0.2055
Rwork	0.205
R-free	0.22880
RMSD bond length	0.007
RMSD bond angle	0.863
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]	58.957		1.910
High resolution limit [Å]	1.797	5.370	1.800
Rmerge	0.100	0.040	0.933
Rmeas	0.108	0.043	1.028
Total number of observations	1035067
Number of reflections	144417	5422	22978
<I/σ(I)>	14.45	40.95	1.51
Completeness [%]	99.6	99.9	97.7
Redundancy	13.4

Crystallization Conditions

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