7FN4

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06G11 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	89.205, 81.627, 93.265
Unit cell angles	90.00, 108.28, 90.00

Refinement procedure

Resolution	44.280 - 1.720
R-factor	0.293
Rwork	0.292
R-free	0.33000
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]	44.280	44.280	44.280
High resolution limit [Å]	1.720	5.120	1.720
Rmerge		0.036	2.938
Rmeas	0.064	0.039	3.174
Total number of observations	462607	17978	72106
Number of reflections	66172	2619	10348
<I/σ(I)>	12.76	43.75	0.63
Completeness [%]	97.5	99.2	94.4
Redundancy	6.99	6.86	6.97
CC(1/2)	0.999	0.999	0.312

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