5F3T

Dengue serotype 3 RNA-dependent RNA polymerase bound to JF-31-MG46

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	2012-08-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	161.580, 177.090, 57.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.400 - 2.050
R-factor	0.1881
Rwork	0.186
R-free	0.22030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hhj
RMSD bond length	0.009
RMSD bond angle	0.990
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	BUSTER-TNT (BUSTER 2.11.5)
Refinement software	BUSTER-TNT (BUSTER 2.11.5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	119.362	40.395	2.160
High resolution limit [Å]	2.050	6.480	2.050
Rmerge		0.045	0.478
Rmeas	0.140
Rpim	0.055	0.018	0.424
Total number of observations	330511	12348	44006
Number of reflections	52280
<I/σ(I)>	9.9	31.5	1.9
Completeness [%]	99.5	99.6	98.82
Redundancy	6.3	6.8	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.1M TRIS PH 8.0, 25% PEG 550 MME