7FMO

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06D12 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	88.744, 82.164, 94.216
Unit cell angles	90.00, 108.56, 90.00

Refinement procedure

Resolution	44.750 - 1.670
R-factor	0.2132
Rwork	0.212
R-free	0.24490
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]	44.750	44.750	44.750
High resolution limit [Å]	1.670	4.970	1.670
Rmerge		0.033	2.710
Rmeas	0.086	0.036	2.937
Total number of observations	513483	19866	79076
Number of reflections	74527	2889	11781
<I/σ(I)>	12.37	50.07	0.63
Completeness [%]	99.5	99.4	97.6
Redundancy	6.89	6.88	6.71
CC(1/2)	0.999	0.999	0.267

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