7FKJ

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04D11 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	2020-06-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.479, 81.136, 92.338
Unit cell angles	90.00, 108.41, 90.00

Refinement procedure

Resolution	43.810 - 1.740
R-factor	0.2123
Rwork	0.210
R-free	0.26410
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]	43.810	43.810	43.810
High resolution limit [Å]	1.740	5.200	1.740
Rmerge		0.052	2.672
Rmeas	0.120	0.056	2.950
Total number of observations	391808	16170	53846
Number of reflections	62479	2451	9720
<I/σ(I)>	8.77	29.65	0.63
Completeness [%]	99.0	99.5	95.5
Redundancy	6.27	6.6	5.54
CC(1/2)	0.997	0.997	0.371

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