7FNA

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07A11 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	89.142, 81.276, 93.195
Unit cell angles	90.00, 108.47, 90.00

Refinement procedure

Resolution	44.200 - 1.690
R-factor	0.3007
Rwork	0.300
R-free	0.32970
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]	44.200	44.200	44.200
High resolution limit [Å]	1.690	5.030	1.690
Rmerge		0.064	2.620
Rmeas	0.106	0.069	2.850
Total number of observations	462582	18330	68801
Number of reflections	70090	2753	10512
<I/σ(I)>	8.3	26	0.59
Completeness [%]	98.4	99.6	91.6
Redundancy	6.6	6.66	6.54
CC(1/2)	0.997	0.996	0.358

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