5HMZ

Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 23

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-28
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	160.875, 175.498, 57.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.800 - 1.990
R-factor	0.1829
Rwork	0.181
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hhj
RMSD bond length	0.010
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	BUSTER-TNT
Refinement software	BUSTER (2.11.4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	118.590	118.590	2.220
High resolution limit [Å]	1.990	4.450	1.990
Rmerge	0.076	0.024	0.725
Number of reflections	56377
<I/σ(I)>	19.7	67.1	2.9
Completeness [%]	99.6	99.9	99
Redundancy	6.7	6.4	6.9
CC(1/2)	0.999

Crystallization Conditions

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