5HMX

Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 10

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	2013-02-05
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	161.340, 176.300, 57.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.440 - 2.400
R-factor	0.1885
Rwork	0.186
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hhj
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	BUSTER-TNT
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	119.023	51.440	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.035	0.684
Number of reflections	32351
<I/σ(I)>	8.6	18.2	1.1
Completeness [%]	98.9	99.5	96.8
Redundancy	3.2	3.6	2.9

Crystallization Conditions

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