7FNU

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07F03 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	88.235, 81.672, 93.433
Unit cell angles	90.00, 108.45, 90.00

Refinement procedure

Resolution	44.320 - 1.540
R-factor	0.2072
Rwork	0.207
R-free	0.23170
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]	44.320	44.320	44.320
High resolution limit [Å]	1.540	4.590	1.540
Rmerge		0.043	2.405
Rmeas	0.074	0.047	2.608
Total number of observations	638059	24757	99857
Number of reflections	93110	3600	14726
<I/σ(I)>	11.42	38.34	0.71
Completeness [%]	99.6	99.5	97.7
Redundancy	6.85	6.88	6.78
CC(1/2)	0.999	0.998	0.422

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