4ZP9

Coxsackievirus B3 Polymerase - F364I 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	74.386, 74.386, 288.252
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.599 - 1.799
R-factor	0.1972
Rwork	0.196
R-free	0.23320
RMSD bond length	0.007
RMSD bond angle	0.825
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]	52.599		1.910
High resolution limit [Å]	1.799	5.380	1.800
Rmerge	0.123	0.038	1.242
Rmeas	0.135	0.042	1.365
Total number of observations	873618
Number of reflections	143089	5364	22985
<I/σ(I)>	12.36	37.4	1.32
Completeness [%]	99.8	99.9	98.7
Redundancy	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	0.085 M HEPES, 3.6 M NaCl, 15% Glycerol