7FO7

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07H05 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	88.499, 81.977, 93.402
Unit cell angles	90.00, 108.08, 90.00

Refinement procedure

Resolution	44.720 - 1.450
R-factor	0.2069
Rwork	0.206
R-free	0.23360
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]	44.720	44.720	44.720
High resolution limit [Å]	1.450	4.330	1.450
Rmerge		0.035	2.898
Rmeas	0.058	0.038	3.128
Total number of observations	774907	29342	121643
Number of reflections	111407	4276	17649
<I/σ(I)>	13.02	49.61	0.4
Completeness [%]	99.0	98.9	97.4
Redundancy	6.96	6.86	6.89
CC(1/2)	0.999	0.998	0.308

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