5SU8

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03F01 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	2020-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	89.789, 81.642, 92.984
Unit cell angles	90.00, 108.79, 90.00

Refinement procedure

Resolution	44.010 - 1.790
R-factor	0.2091
Rwork	0.207
R-free	0.25480
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]	44.010	44.010	44.010
High resolution limit [Å]	1.790	5.350	1.790
Rmerge		0.043	2.256
Rmeas	0.063	0.047	2.442
Total number of observations	402439	15270	61390
Number of reflections	59051	2313	9197
<I/σ(I)>	13.35	44.37	0.46
Completeness [%]	99.2	99.1	95.9
Redundancy	6.82	6.6	6.68
CC(1/2)	0.999	0.998	0.476

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