7FN3

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06G09 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	88.838, 81.979, 94.056
Unit cell angles	90.00, 108.39, 90.00

Refinement procedure

Resolution	40.990 - 1.630
R-factor	0.2006
Rwork	0.200
R-free	0.23630
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]	40.990	40.990	40.990
High resolution limit [Å]	1.630	4.860	1.630
Rmerge		0.042	2.311
Rmeas	0.058	0.046	2.498
Total number of observations	553419	20752	87468
Number of reflections	79869	3078	12804
<I/σ(I)>	13.02	42.04	0.5
Completeness [%]	99.7	98.6	99.1
Redundancy	6.93	6.74	6.83
CC(1/2)	0.999	0.997	0.359

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