4K4W

Poliovirus polymerase elongation complex (r5+2_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	64.487, 64.367, 102.285
Unit cell angles	73.65, 73.56, 72.20

Refinement procedure

Resolution	42.376 - 2.690
R-factor	0.2151
Rwork	0.213
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.217
Data reduction software	d*TREK (9.9.9.1L)
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]	42.380	42.380	2.790
High resolution limit [Å]	2.690	5.790	2.690
Rmerge	0.050	0.033	0.456
Total number of observations		7970	7860
Number of reflections	39877
<I/σ(I)>	8.4	26.5	1.5
Completeness [%]	97.9	97.1	98
Redundancy	1.99	1.98	1.98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	4.8%(v/v) isopropanol, 0.096 M tacsimate, 1.92-1.95 M ammonium sulfate, and 10-11%(v/v) glycerol and then gradually exchanged into a cryo stabilizer solution containing 4.8%(v/v) isopropanol, 0.096 M tacsimate, 1.95 M ammonium sulfate and 19-27%(v/v) xylitol with CTP prior to freezing, VAPOR DIFFUSION, SITTING DROP, temperature 289K