7FO5

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07G11 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	89.340, 82.246, 92.905
Unit cell angles	90.00, 107.85, 90.00

Refinement procedure

Resolution	44.220 - 1.710
R-factor	0.2628
Rwork	0.262
R-free	0.28930
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]	44.220	44.220	44.220
High resolution limit [Å]	1.710	5.100	1.710
Rmerge		0.042	2.531
Rmeas	0.074	0.046	2.743
Total number of observations	470743	18133	69456
Number of reflections	68265	2662	10409
<I/σ(I)>	11.4	38.42	0.48
Completeness [%]	98.9	99.4	93.9
Redundancy	6.9	6.81	6.67
CC(1/2)	0.999	0.997	0.382

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