5ST8

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02E09 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	88.943, 81.884, 93.426
Unit cell angles	90.00, 108.12, 90.00

Refinement procedure

Resolution	44.780 - 1.510
R-factor	0.2072
Rwork	0.206
R-free	0.24780
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]	44.780	44.780	44.780
High resolution limit [Å]	1.510	4.500	1.510
Rmerge		0.035	2.445
Rmeas	0.061	0.038	2.635
Total number of observations	693200	26696	108288
Number of reflections	98101	3840	15340
<I/σ(I)>	12.36	49.05	0.41
Completeness [%]	98.0	99.3	95.4
Redundancy	7.07	6.95	7.06
CC(1/2)	0.999	0.999	0.382

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