7JME

Structure of the SARS-CoV-2 NSP3 Macro X domain in complex with cyclic AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2020-07-25
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	37.210, 33.036, 60.476
Unit cell angles	90.00, 96.35, 90.00

Refinement procedure

Resolution	24.700 - 1.550
R-factor	0.1593
Rwork	0.157
R-free	0.18210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wey
RMSD bond length	0.008
RMSD bond angle	0.893
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.700	1.606
High resolution limit [Å]	1.550	1.550
Rmerge	0.076	0.291
Rmeas	0.091	0.344
Rpim	0.049	0.182
Number of reflections	20508	1938
<I/σ(I)>	10.91	4.23
Completeness [%]	95.0
Redundancy	3.4
CC(1/2)	0.992	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289.15	30% PEG 4K, 0.1M MES pH 6.5, crystals then soaked in 35% PEG 4K, 20mM cAMP