5SU7

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03E12 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	88.391, 81.818, 93.717
Unit cell angles	90.00, 108.03, 90.00

Refinement procedure

Resolution	44.750 - 1.810
R-factor	0.3186
Rwork	0.318
R-free	0.34630
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]	1.810	5.390	1.810
Rmerge		0.051	2.484
Rmeas	0.075	0.056	2.684
Total number of observations	386031	14809	57348
Number of reflections	56728	2246	8491
<I/σ(I)>	11.62	36.97	0.41
Completeness [%]	97.8	99.2	91.3
Redundancy	6.8	6.59	6.75
CC(1/2)	0.998	0.996	0.394

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