7FOS

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08D01 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	2020-05-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	87.740, 81.851, 94.021
Unit cell angles	90.00, 108.50, 90.00

Refinement procedure

Resolution	41.600 - 1.670
R-factor	0.2263
Rwork	0.226
R-free	0.25480
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]	41.600	41.600	41.600
High resolution limit [Å]	1.670	4.960	1.660
Rmerge		0.038	2.783
Rmeas	0.062	0.041	3.011
Total number of observations	504562	19397	75716
Number of reflections	73209	2849	11193
<I/σ(I)>	12.61	43.93	0.6
Completeness [%]	98.8	99.2	93.7
Redundancy	6.89	6.81	6.76
CC(1/2)	0.999	0.998	0.378

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