7FOQ

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C10 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	2020-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	89.127, 80.713, 92.107
Unit cell angles	90.00, 108.77, 90.00

Refinement procedure

Resolution	43.920 - 1.740
R-factor	0.2134
Rwork	0.211
R-free	0.26920
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]	43.920	43.920	43.920
High resolution limit [Å]	1.740	5.200	1.740
Rmerge		0.040	3.150
Rmeas	0.096	0.044	3.415
Total number of observations	429051	16880	66091
Number of reflections	62740	2460	9913
<I/σ(I)>	10.26	37.3	0.62
Completeness [%]	99.6	99.6	97.8
Redundancy	6.84	6.86	6.67
CC(1/2)	0.999	0.998	0.304

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