5SU9

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03F06 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	2020-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.443, 81.836, 93.400
Unit cell angles	90.00, 108.54, 90.00

Refinement procedure

Resolution	44.510 - 1.660
R-factor	0.2013
Rwork	0.200
R-free	0.25540
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]	44.510	44.510	44.510
High resolution limit [Å]	1.660	4.940	1.660
Rmerge		0.034	2.171
Rmeas	0.063	0.037	2.351
Total number of observations	514753	19678	79018
Number of reflections	74622	2894	11681
<I/σ(I)>	13.46	50.66	0.62
Completeness [%]	99.4	99.2	96.6
Redundancy	6.9	6.8	6.76
CC(1/2)	0.999	0.999	0.456

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