6IZZ

The RNA-dependent RNA polymerase domain of dengue 3 NS5, bound with RK-0404678

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	164.040, 179.290, 58.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.153 - 1.970
R-factor	0.2246
Rwork	0.223
R-free	0.25520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j7u
RMSD bond length	0.005
RMSD bond angle	0.725
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.670	2.020
High resolution limit [Å]	1.970	1.970
Number of reflections	60863	4487
<I/σ(I)>	13.8
Completeness [%]	99.4
Redundancy	7.3
CC(1/2)	0.998	0.609

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	16% polyethylene glycol 10000 and 100 mM Tris-HCl (pH 8.0)