5STH

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02H09 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	89.096, 81.931, 93.796
Unit cell angles	90.00, 108.52, 90.00

Refinement procedure

Resolution	44.720 - 1.670
R-factor	0.2572
Rwork	0.256
R-free	0.29340
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]	44.720	44.720	44.720
High resolution limit [Å]	1.670	4.980	1.670
Rmerge		0.032	3.294
Rmeas	0.091	0.034	3.556
Total number of observations	517715	19925	81274
Number of reflections	73901	2872	11750
<I/σ(I)>	10.95	51.27	0.29
Completeness [%]	99.3	99.4	98
Redundancy	7.01	6.94	6.92
CC(1/2)	0.999	0.999	0.244

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