7FOZ

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08F01 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	88.643, 82.102, 93.041
Unit cell angles	90.00, 108.09, 90.00

Refinement procedure

Resolution	41.050 - 1.830
R-factor	0.2944
Rwork	0.293
R-free	0.34050
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]	41.050	41.050	41.050
High resolution limit [Å]	1.830	5.440	1.830
Rmerge		0.040	2.458
Rmeas	0.061	0.044	2.661
Total number of observations	389984	14405	60069
Number of reflections	55947	2163	8841
<I/σ(I)>	13.89	45.22	0.58
Completeness [%]	99.5	98.5	98
Redundancy	6.97	6.66	6.79
CC(1/2)	0.999	0.997	0.347

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