7FNL

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07D01 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	87.949, 81.754, 93.306
Unit cell angles	90.00, 108.37, 90.00

Refinement procedure

Resolution	44.280 - 1.670
R-factor	0.2005
Rwork	0.199
R-free	0.24500
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]	44.280	44.280	44.280
High resolution limit [Å]	1.670	4.970	1.660
Rmerge		0.052	2.401
Rmeas	0.087	0.056	2.605
Total number of observations	500547	19201	76259
Number of reflections	72929	2835	11373
<I/σ(I)>	10.88	35.49	0.76
Completeness [%]	99.3	99.4	96.2
Redundancy	6.86	6.77	6.71
CC(1/2)	0.998	0.998	0.388

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