5ST2

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02C06 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	88.536, 82.015, 93.750
Unit cell angles	90.00, 108.46, 90.00

Refinement procedure

Resolution	44.640 - 1.530
R-factor	0.1999
Rwork	0.199
R-free	0.24540
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]	44.640	44.640	44.640
High resolution limit [Å]	1.530	4.550	1.520
Rmerge		0.039	3.104
Rmeas	0.064	0.043	3.348
Total number of observations	646985	24878	99264
Number of reflections	93059	3718	14078
<I/σ(I)>	12.48	45.73	0.34
Completeness [%]	95.8	98.8	90
Redundancy	6.95	6.69	7.05
CC(1/2)	0.999	0.998	0.342

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