7FL5

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04H07 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	2020-06-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	89.670, 81.669, 92.929
Unit cell angles	90.00, 108.43, 90.00

Refinement procedure

Resolution	42.540 - 1.890
R-factor	0.2449
Rwork	0.243
R-free	0.28290
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]	42.540	42.540	42.540
High resolution limit [Å]	1.890	5.640	1.890
Rmerge		0.033	2.240
Rmeas	0.092	0.036	2.426
Total number of observations	350894	13420	53080
Number of reflections	50309	1972	7831
<I/σ(I)>	11.89	46.34	0.73
Completeness [%]	99.3	99.5	96.4
Redundancy	6.97	6.81	6.78
CC(1/2)	0.999	0.999	0.391

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