5K5M

Co-Crystal Structure of Dengue Virus Serotype 2 RNA Dependent RNA Polymerase with Compound 27

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	2014-05-21
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	82.140, 115.770, 148.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.320 - 2.010
R-factor	0.1796
Rwork	0.178
R-free	0.21620
RMSD bond length	0.010
RMSD bond angle	0.970
Data scaling software	Aimless (0.1.27)
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.320	2.020
High resolution limit [Å]	2.010	2.010
Rmerge	0.062	0.617
Number of reflections	47145
<I/σ(I)>	24.3	3.74
Completeness [%]	100.0	100
Redundancy	6.7	6.9
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	298	0.35M MgCl2, 16% PEG 4000, 0.1M MES pH 7.0