7FM1

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05H02 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	88.356, 81.822, 93.830
Unit cell angles	90.00, 108.61, 90.00

Refinement procedure

Resolution	44.460 - 1.500
R-factor	0.2066
Rwork	0.206
R-free	0.23320
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]	44.460	44.460	44.460
High resolution limit [Å]	1.500	4.470	1.500
Rmerge		0.045	2.622
Rmeas	0.084	0.049	2.840
Total number of observations	695172	27046	107454
Number of reflections	101420	3918	15966
<I/σ(I)>	10.38	36.01	0.72
Completeness [%]	99.5	99.6	97.2
Redundancy	6.85	6.9	6.73
CC(1/2)	0.999	0.998	0.363

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