5HMW

Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 5

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	2012-10-16
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	161.880, 179.390, 58.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.000 - 2.150
R-factor	0.1893
Rwork	0.188
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hhj
RMSD bond length	0.010
RMSD bond angle	1.020
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]	120.181	52.235	2.270
High resolution limit [Å]	2.150	6.800	2.150
Rmerge		0.060	0.938
Number of reflections	45980
<I/σ(I)>	7.7	8.7	0.8
Completeness [%]	99.1	99.7	98.8
Redundancy	5.1	4.6	5.3

Crystallization Conditions

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