7FM0

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05H01 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	2020-05-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.717, 81.948, 94.124
Unit cell angles	90.00, 108.51, 90.00

Refinement procedure

Resolution	44.630 - 1.610
R-factor	0.2089
Rwork	0.208
R-free	0.24560
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]	44.630	44.630	44.630
High resolution limit [Å]	1.610	4.810	1.610
Rmerge		0.065	2.178
Rmeas	0.111	0.071	2.386
Total number of observations	523188	21455	71896
Number of reflections	80737	3192	12142
<I/σ(I)>	8.13	23.31	0.87
Completeness [%]	97.8	99.6	91.2
Redundancy	6.48	6.72	5.92
CC(1/2)	0.997	0.997	0.414

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