6IZX

The RNA-dependent RNA polymerase domain of dengue 2 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	2016-09-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	I 4 3 2
Unit cell lengths	236.500, 236.500, 236.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.744 - 2.430
R-factor	0.1984
Rwork	0.197
R-free	0.23060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j7u
RMSD bond length	0.008
RMSD bond angle	0.899
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.200	2.490
High resolution limit [Å]	2.430	2.430
Number of reflections	42503	3092
<I/σ(I)>	16.36
Completeness [%]	100.0
Redundancy	22.3
CC(1/2)	0.998	0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.6 M ammonium sulfate, 100 mM MES-NaOH (pH 6.2-6.5), and 10 mM CoCl2