6KR3

Crystal structure of Dengue virus nonstructural protein NS5 (form 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9788
Spacegroup name	C 2 2 21
Unit cell lengths	178.845, 209.975, 157.873
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.812 - 2.931
R-factor	0.235
Rwork	0.233
R-free	0.26810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k6m 4v0q
RMSD bond length	0.012
RMSD bond angle	1.234
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.000	60.000	3.030
High resolution limit [Å]	2.930	6.310	2.930
Rmerge	0.138	0.092	0.550
Rmeas	0.153	0.102	0.609
Rpim	0.064	0.044	0.257
Total number of observations	356093
Number of reflections	63847	6639	6304
<I/σ(I)>	6.1
Completeness [%]	99.9	99.8	100
Redundancy	5.6	5.4	5.5
CC(1/2)		0.990	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.1	289	PEG3350