7FN1

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06G06 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	88.356, 81.938, 93.326
Unit cell angles	90.00, 108.22, 90.00

Refinement procedure

Resolution	44.320 - 1.440
R-factor	0.2096
Rwork	0.209
R-free	0.23580
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]	44.320	44.320	44.320
High resolution limit [Å]	1.440	4.290	1.440
Rmerge		0.037	2.750
Rmeas	0.057	0.040	2.982
Total number of observations	784482	29793	120169
Number of reflections	114340	4378	17890
<I/σ(I)>	12.85	47.48	0.44
Completeness [%]	99.4	98.8	96.6
Redundancy	6.86	6.81	6.72
CC(1/2)	0.999	0.998	0.313

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