4CTK

DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT 2A4

Experimental procedure

Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	110
Detector technology	CCD
Collection date	2011-06-10
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	61.260, 185.100, 52.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.320 - 1.530
R-factor	0.1725
Rwork	0.171
R-free	0.20130
RMSD bond length	0.010
RMSD bond angle	0.980
Data reduction software	XDS ((VERSION DECEMBER 6 2010))
Data scaling software	SCALA
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.160	1.538
High resolution limit [Å]	1.533	1.533
Rmerge	0.057	0.504
Number of reflections	88466
<I/σ(I)>	13.3
Completeness [%]	98.6	93.1
Redundancy	3.5	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		pH 8.5