5SUF

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03H03 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	2020-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	87.740, 85.476, 93.504
Unit cell angles	90.00, 110.49, 90.00

Refinement procedure

Resolution	44.170 - 1.510
R-factor	0.2187
Rwork	0.218
R-free	0.25390
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]	44.170	44.170	44.170
High resolution limit [Å]	1.510	4.500	1.510
Rmerge		0.035	1.740
Rmeas	0.057	0.038	1.883
Total number of observations	703890	27239	110684
Number of reflections	101410	3910	16211
<I/σ(I)>	15	50.34	0.89
Completeness [%]	99.8	99.5	99.3
Redundancy	6.94	6.97	6.83
CC(1/2)	0.999	0.998	0.448

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