6KR2

Crystal structure of Dengue virus nonstructural protein NS5 (form 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	87.219, 146.418, 98.388
Unit cell angles	90.00, 105.80, 90.00

Refinement procedure

Resolution	44.818 - 3.060
R-factor	0.2268
Rwork	0.224
R-free	0.27490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k6m 4v0q
RMSD bond length	0.011
RMSD bond angle	1.420
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	3.170
High resolution limit [Å]	3.060	6.590	3.060
Rmerge	0.160	0.049	0.500
Rmeas	0.191	0.059	0.598
Rpim	0.103	0.032	0.325
Total number of observations	143708
Number of reflections	44340	4427	4431
<I/σ(I)>	4.7
Completeness [%]	98.3	96.4	99.1
Redundancy	3.2	3.2	3.2
CC(1/2)		0.997	0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		283	PEG2000