5ST0

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02B04 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	88.672, 81.800, 93.525
Unit cell angles	90.00, 108.39, 90.00

Refinement procedure

Resolution	44.370 - 1.540
R-factor	0.2062
Rwork	0.205
R-free	0.24150
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]	44.370	44.370	44.370
High resolution limit [Å]	1.540	4.610	1.540
Rmerge		0.034	2.169
Rmeas	0.061	0.036	2.341
Total number of observations	631117	24304	96948
Number of reflections	91260	3568	14044
<I/σ(I)>	13.85	51.69	0.53
Completeness [%]	98.4	99.5	94.1
Redundancy	6.92	6.81	6.9
CC(1/2)	0.999	0.999	0.403

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