7OM2

Thosea asigna virus RdRP domain in complex with Mg+2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	134.844, 149.003, 100.368
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.510 - 2.070
R-factor	0.1733
Rwork	0.172
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xhi
RMSD bond length	0.008
RMSD bond angle	0.943
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.510	2.140
High resolution limit [Å]	2.070	2.070
Rmerge		1.342
Number of reflections	116849	12183
<I/σ(I)>	9.04	1.65
Completeness [%]	94.4	99.86
Redundancy	5.6	5.6
CC(1/2)	0.995	0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	19% PEG 3350, 0.18M MgSO4