5ST1

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02C03 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	88.498, 81.912, 93.546
Unit cell angles	90.00, 108.34, 90.00

Refinement procedure

Resolution	44.630 - 1.580
R-factor	0.2106
Rwork	0.210
R-free	0.23480
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]	1.580	4.710	1.580
Rmerge		0.043	2.190
Rmeas	0.062	0.047	2.367
Total number of observations	602472	22897	93949
Number of reflections	86867	3357	13720
<I/σ(I)>	12.94	43.05	0.49
Completeness [%]	99.5	99.3	97.4
Redundancy	6.94	6.82	6.85
CC(1/2)	0.999	0.997	0.364

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