7FO4

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07G08 from the F2X-Universal Library

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.580, 81.886, 93.541
Unit cell angles	90.00, 108.30, 90.00

Refinement procedure

Resolution	36.850 - 1.530
R-factor	0.2078
Rwork	0.207
R-free	0.24190
Structure solution method	FOURIER SYNTHESIS
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.850	36.850	36.850
High resolution limit [Å]	1.530	4.560	1.530
Rmerge		0.034	3.165
Rmeas	0.066	0.037	3.431
Total number of observations	663471	25498	103219
Number of reflections	95740	3698	15136
<I/σ(I)>	12.27	50.14	0.41
Completeness [%]	99.6	99.1	97.9
Redundancy	6.93	6.9	6.82
CC(1/2)	0.999	0.999	0.273

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	19% PEG4000, 3% DMSO, 0.1 M Tris, pH 8.5, 0.2 M lithium sulfate