7Y57

Crystal structure of NS1 nuclease domain in P21 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 1 21 1
Unit cell lengths	43.538, 71.716, 56.960
Unit cell angles	90.00, 93.57, 90.00

Refinement procedure

Resolution	43.454 - 2.183
R-factor	0.2248
Rwork	0.223
R-free	0.25830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7y56
RMSD bond length	0.003
RMSD bond angle	0.702
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.180	5.970	2.200
Rmerge	0.105	0.072	0.382
Rmeas	0.126	0.086	0.467
Rpim	0.068	0.047	0.265
Number of reflections	34825	1781	1457
<I/σ(I)>	3.2
Completeness [%]	98.1	99.7	84
Redundancy	3.2	3.5	2.3
CC(1/2)		0.945	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	Ammonium sulfate (dibasic) and HEPES/Sodium hydroxide pH 7.5 buffer