7FO0

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07G02 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	88.802, 81.220, 92.336
Unit cell angles	90.00, 108.23, 90.00

Refinement procedure

Resolution	43.850 - 1.830
R-factor	0.2396
Rwork	0.238
R-free	0.28720
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]	43.850	43.850	43.850
High resolution limit [Å]	1.830	5.420	1.820
Rmerge		0.051	2.573
Rmeas	0.105	0.055	2.797
Total number of observations	374126	14492	52924
Number of reflections	55304	2180	8242
<I/σ(I)>	9.6	30.92	0.71
Completeness [%]	98.5	99.5	91
Redundancy	6.76	6.65	6.42
CC(1/2)	0.998	0.998	0.434

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