7FOI

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08B06 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	2020-05-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.759, 82.149, 93.693
Unit cell angles	90.00, 108.29, 90.00

Refinement procedure

Resolution	44.760 - 1.550
R-factor	0.2122
Rwork	0.211
R-free	0.24860
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]	44.760	44.760	44.760
High resolution limit [Å]	1.550	4.620	1.550
Rmerge		0.042	2.449
Rmeas	0.057	0.045	2.651
Total number of observations	642391	24020	101364
Number of reflections	92587	3541	14773
<I/σ(I)>	13.26	43.71	0.49
Completeness [%]	99.7	98.7	98.8
Redundancy	6.94	6.78	6.86
CC(1/2)	0.999	0.997	0.375

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