7FL6

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04H10 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	89.532, 81.618, 93.139
Unit cell angles	90.00, 108.48, 90.00

Refinement procedure

Resolution	44.170 - 1.580
R-factor	0.2043
Rwork	0.204
R-free	0.23120
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]	44.170	44.170	44.170
High resolution limit [Å]	1.580	4.710	1.580
Rmerge		0.031	2.599
Rmeas	0.066	0.033	2.805
Total number of observations	597922	22818	94471
Number of reflections	85358	3362	13430
<I/σ(I)>	13.94	51.54	0.73
Completeness [%]	97.6	99.2	95.1
Redundancy	7	6.79	7.03
CC(1/2)	0.999	0.999	0.301

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