7FO1

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07G03 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	88.553, 82.076, 93.766
Unit cell angles	90.00, 108.33, 90.00

Refinement procedure

Resolution	41.040 - 1.500
R-factor	0.2047
Rwork	0.204
R-free	0.22570
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]	41.040	41.040	41.040
High resolution limit [Å]	1.500	4.470	1.500
Rmerge		0.043	2.235
Rmeas	0.061	0.047	2.410
Total number of observations	705123	26736	109944
Number of reflections	100703	3913	15727
<I/σ(I)>	12.75	42.92	0.45
Completeness [%]	98.3	98.8	95.1
Redundancy	7	6.83	6.99
CC(1/2)	0.999	0.997	0.411

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