4NLT

Poliovirus Polymerase - S291P 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	2006-03-06
Detector	NOIR-1
Wavelength(s)	1.000
Spacegroup name	P 65
Unit cell lengths	129.376, 129.376, 111.931
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.500
Rwork	0.222
R-free	0.25550
Structure solution method	MOLECULAR REPLACEMENT
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	29.940	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.180	0.098	0.358
Total number of observations		28167	25007
Number of reflections	36788
<I/σ(I)>	7.3	16.6	2.7
Completeness [%]	99.9	99.6	100
Redundancy	7.2	7.34	6.76

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	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 (pH 7.0) and 2 mM DTT, Hanging drop, temperature 289K