7FN8

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07A01 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	88.332, 82.030, 93.630
Unit cell angles	90.00, 108.18, 90.00

Refinement procedure

Resolution	44.480 - 1.410
R-factor	0.2116
Rwork	0.211
R-free	0.24990
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]	44.480	44.480	44.480
High resolution limit [Å]	1.410	4.210	1.410
Rmerge		0.042	3.059
Rmeas	0.064	0.046	3.297
Total number of observations	843479	32333	131562
Number of reflections	119015	4651	18676
<I/σ(I)>	11.41	42.72	0.32
Completeness [%]	97.2	98.6	94.7
Redundancy	7.09	6.95	7.04
CC(1/2)	0.999	0.998	0.304

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