7FOV

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08E03 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	88.567, 81.747, 93.505
Unit cell angles	90.00, 108.43, 90.00

Refinement procedure

Resolution	44.360 - 1.480
R-factor	0.2064
Rwork	0.206
R-free	0.22630
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]	44.360	44.360	44.360
High resolution limit [Å]	1.480	4.410	1.480
Rmerge		0.043	2.013
Rmeas	0.058	0.047	2.184
Total number of observations	724348	27413	112558
Number of reflections	105374	4053	16617
<I/σ(I)>	13.56	41.99	0.71
Completeness [%]	99.5	99	97.7
Redundancy	6.87	6.76	6.77
CC(1/2)	0.999	0.997	0.462

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