7FOO

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C06 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	88.618, 81.972, 93.646
Unit cell angles	90.00, 108.37, 90.00

Refinement procedure

Resolution	44.440 - 1.590
R-factor	0.2345
Rwork	0.233
R-free	0.27900
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]	44.440	44.440	44.440
High resolution limit [Å]	1.590	4.740	1.590
Rmerge		0.072	0.452
Rmeas	0.071	0.078	0.527
Total number of observations	371404	22781	36121
Number of reflections	74756	3313	9567
<I/σ(I)>	15.56	28.91	4.3
Completeness [%]	87.0	99.3	69.3
Redundancy	4.97	6.88	3.78
CC(1/2)	0.997	0.995	0.855

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