7V4Q

The crystal structure of the apo form of KFDV NS3H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978910
Spacegroup name	P 21 21 21
Unit cell lengths	43.082, 53.555, 189.406
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.350 - 1.910
R-factor	0.1835
Rwork	0.182
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jno
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.350	2.020
High resolution limit [Å]	1.910	1.910
Rmeas	0.069	0.409
Number of reflections	34870	5160
<I/σ(I)>	37.43
Completeness [%]	98.7	92.4
Redundancy	24.8
CC(1/2)	1.000	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	200 mM Na tartrate, 100 mM HEPES pH 7.0, 20% (w/v) PEG4000