5F41

DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO FD-83-KI26

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 PILATUS3 2M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	161.700, 178.330, 57.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.000
R-factor	0.1877
Rwork	0.186
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hhj
RMSD bond length	0.010
RMSD bond angle	1.000
Data scaling software	SCALA (3.3.20)
Phasing software	BUSTER-TNT (BUSTER 2.11.5)
Refinement software	BUSTER-TNT (BUSTER 2.11.5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	119.788	40.425	2.071
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.035	0.452
Rmeas	0.113
Rpim	0.048	0.018	0.380
Total number of observations	292809	11175	31872
Number of reflections	56695
<I/σ(I)>	10.9	30.1	2.1
Completeness [%]	99.4	99.3	97.6
Redundancy	5.2	5.7	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.1M TRIS PH 8.0, 25% PEG 550 MME