7FP6

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08G05 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	2020-05-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	89.007, 81.771, 93.303
Unit cell angles	90.00, 108.26, 90.00

Refinement procedure

Resolution	44.700 - 1.610
R-factor	0.1973
Rwork	0.197
R-free	0.22880
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]	44.700	44.700	44.700
High resolution limit [Å]	1.610	4.790	1.600
Rmerge		0.052	2.504
Rmeas	0.079	0.056	2.707
Total number of observations	556937	21683	85047
Number of reflections	81122	3205	12381
<I/σ(I)>	10.86	32.49	0.67
Completeness [%]	97.6	99.4	92.4
Redundancy	6.87	6.77	6.87
CC(1/2)	0.998	0.996	0.387

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