7FNV

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07F04 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	88.804, 81.868, 93.200
Unit cell angles	90.00, 108.07, 90.00

Refinement procedure

Resolution	42.210 - 1.540
R-factor	0.2065
Rwork	0.206
R-free	0.23440
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]	42.210	42.210	42.210
High resolution limit [Å]	1.540	4.590	1.540
Rmerge		0.041	2.535
Rmeas	0.064	0.045	2.746
Total number of observations	650241	24920	102878
Number of reflections	93902	3617	15076
<I/σ(I)>	12.05	42.78	0.57
Completeness [%]	99.8	99.3	99.2
Redundancy	6.92	6.89	6.82
CC(1/2)	0.999	0.998	0.342

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