4NLO

Poliovirus Polymerase - C290I Loop 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	2005-05-31
Detector	NOIR-1
Wavelength(s)	1.000
Spacegroup name	P 65
Unit cell lengths	128.970, 128.970, 111.860
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.200
Rwork	0.226
R-free	0.25140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ra6
Data reduction software	d*TREK (9.4L)
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	29.860	2.280
High resolution limit [Å]	2.200	4.730	2.200
Rmerge	0.094	0.032	0.443
Total number of observations		41474	36675
Number of reflections	52853
<I/σ(I)>	13.2	38	4.4
Completeness [%]	98.6	99.9	97.2
Redundancy	7.36	7.59	6.93

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	Grown in sodium acetate, cacodylate, DTT. Transferred to 250 mM sodium acetate, 30% (w/v) PEG-400, 0.1 M cacodylic acid and 2 mM DTT, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 289K