7FN7

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06H08 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	89.435, 81.661, 93.450
Unit cell angles	90.00, 108.40, 90.00

Refinement procedure

Resolution	44.340 - 1.510
R-factor	0.2084
Rwork	0.208
R-free	0.23180
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]	44.340	44.340	44.340
High resolution limit [Å]	1.510	4.500	1.510
Rmerge		0.035	2.606
Rmeas	0.061	0.038	2.816
Total number of observations	692266	26318	107959
Number of reflections	100102	3859	15831
<I/σ(I)>	13.21	50.71	0.41
Completeness [%]	99.5	99.2	97.6
Redundancy	6.92	6.82	6.82
CC(1/2)	0.999	0.998	0.318

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