7KAG

Crystal structure of the ubiquitin-like domain 1 (Ubl1) of Nsp3 from SARS-CoV-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	81.830, 147.570, 70.137
Unit cell angles	90.00, 125.90, 90.00

Refinement procedure

Resolution	35.780 - 3.210
R-factor	0.2175
Rwork	0.214
R-free	0.24780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gri
RMSD bond length	0.002
RMSD bond angle	0.512
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.15_3448)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.180
High resolution limit [Å]	3.130	3.130
Rmerge	0.053	0.933
Rpim	0.035	0.608
Number of reflections	10868	459
<I/σ(I)>	17.53	1.04
Completeness [%]	96.0	83.5
Redundancy	3.3	2.8
CC(1/2)	0.990	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	1.6 M ammonium sulfate, 0.1 M Hepes pH 7.5, 2% hexanediol