6XD1

Dengue serotype 3 RNA-dependent RNA polymerase bound to NITD-640

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-02
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	161.533, 175.198, 57.748
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.748 - 1.954
R-factor	0.1762
Rwork	0.175
R-free	0.20420
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	0.910
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	BUSTER (2.11.7 (19-MAR-2020))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.380	59.380	1.952
High resolution limit [Å]	1.945	9.018	1.945
Rmerge	0.046	0.020	0.629
Rmeas	0.050	0.022	0.680
Rpim	0.019	0.008	0.256
Number of reflections	60534	701	600
<I/σ(I)>	24.7
Completeness [%]	99.9	100	99.7
Redundancy	6.6	5.6	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Tris-HCl, pH 8.2 to 8.4, 26 to 28 % PEG 550 MME