7FOG

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08B02 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	88.235, 81.918, 93.612
Unit cell angles	90.00, 108.13, 90.00

Refinement procedure

Resolution	44.480 - 1.410
R-factor	0.213
Rwork	0.212
R-free	0.23970
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]	44.480	44.480	44.480
High resolution limit [Å]	1.410	4.210	1.410
Rmerge		0.140	2.551
Rmeas	0.168	0.151	2.748
Total number of observations	841286	32163	132097
Number of reflections	118492	4659	18583
<I/σ(I)>	5.19	13.94	0.29
Completeness [%]	97.0	99.1	94.4
Redundancy	7.1	6.9	7.11
CC(1/2)	0.984	0.969	0.366

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