5F3Z

Dengue serotype 3 RNA-dependent RNA polymerase bound to PC-79-SH52

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	161.300, 176.220, 57.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.280 - 2.000
R-factor	0.1856
Rwork	0.184
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hhj
RMSD bond length	0.010
RMSD bond angle	1.010
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]	118.982	40.325	2.071
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.044	0.432
Rmeas	0.105
Rpim	0.043	0.018	0.372
Total number of observations	291699	12962	30844
Number of reflections	55382
<I/σ(I)>	10.7	32.2	1.9
Completeness [%]	98.7	99.6	94.9
Redundancy	5.3	6.7	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