7FNZ

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07F12 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	89.395, 82.036, 93.267
Unit cell angles	90.00, 108.03, 90.00

Refinement procedure

Resolution	42.500 - 1.660
R-factor	0.2316
Rwork	0.231
R-free	0.26820
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]	42.500	42.500	42.500
High resolution limit [Å]	1.660	4.930	1.650
Rmerge		0.044	3.829
Rmeas	0.066	0.047	4.147
Total number of observations	521337	19944	78002
Number of reflections	75912	2958	11627
<I/σ(I)>	11.64	38.82	0.44
Completeness [%]	98.9	99.1	94
Redundancy	6.87	6.74	6.71
CC(1/2)	0.999	0.998	0.211

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