7FK8

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04B07 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	89.791, 81.543, 93.252
Unit cell angles	90.00, 108.94, 90.00

Refinement procedure

Resolution	44.290 - 1.670
R-factor	0.2572
Rwork	0.256
R-free	0.30320
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]	44.290	44.290	44.290
High resolution limit [Å]	1.670	4.970	1.670
Rmerge		0.034	2.856
Rmeas	0.064	0.037	3.087
Total number of observations	509066	19720	79207
Number of reflections	73610	2863	11557
<I/σ(I)>	12.67	45.34	0.66
Completeness [%]	99.2	99.2	97.1
Redundancy	6.92	6.89	6.85
CC(1/2)	0.999	0.999	0.385

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