7FO9

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07H07 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	88.638, 81.971, 93.141
Unit cell angles	90.00, 108.14, 90.00

Refinement procedure

Resolution	44.680 - 1.670
R-factor	0.2434
Rwork	0.242
R-free	0.27770
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]	44.680	44.680	44.680
High resolution limit [Å]	1.670	4.960	1.660
Rmerge		0.052	3.403
Rmeas	0.098	0.057	3.692
Total number of observations	503893	19301	75143
Number of reflections	73596	2864	11277
<I/σ(I)>	9.18	33.43	0.44
Completeness [%]	99.0	99.3	94
Redundancy	6.85	6.74	6.66
CC(1/2)	0.998	0.997	0.233

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