7Y56

Crystal structure of NS1 nuclease domain in P41212 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-10-27
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9793
Spacegroup name	P 41 21 2
Unit cell lengths	69.360, 69.360, 108.856
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.151 - 1.752
R-factor	0.181
Rwork	0.180
R-free	0.20220
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.843
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.095	0.077	0.558
Rmeas	0.098	0.080	0.582
Rpim	0.027	0.021	0.164
Total number of observations	694290
Number of reflections	50954	2561	2552
<I/σ(I)>	4.1
Completeness [%]	100.0	99.7	100
Redundancy	13.6	13.8	12.4
CC(1/2)		0.952	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	290	Ammonium phosphate (dibasic) and Sodium acetate/Acetic acid pH 4.2 buffer