5ST6

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02D07 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	88.861, 81.611, 93.408
Unit cell angles	90.00, 108.62, 90.00

Refinement procedure

Resolution	39.830 - 1.620
R-factor	0.2055
Rwork	0.204
R-free	0.24470
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]	39.830	39.830	39.830
High resolution limit [Å]	1.620	4.820	1.620
Rmerge		0.040	2.030
Rmeas	0.080	0.043	2.204
Total number of observations	539174	21022	83824
Number of reflections	80454	3130	12664
<I/σ(I)>	11.45	40.55	0.66
Completeness [%]	99.5	99.5	97.4
Redundancy	6.7	6.72	6.62
CC(1/2)	0.999	0.998	0.461

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