7FOP

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C08 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	2020-05-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.581, 81.689, 92.867
Unit cell angles	90.00, 108.23, 90.00

Refinement procedure

Resolution	44.100 - 1.660
R-factor	0.2693
Rwork	0.268
R-free	0.30430
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]	44.100	44.100	44.100
High resolution limit [Å]	1.660	4.960	1.660
Rmerge		0.041	2.614
Rmeas	0.076	0.044	2.831
Total number of observations	496094	19062	74886
Number of reflections	72961	2847	11169
<I/σ(I)>	11.36	41.05	0.47
Completeness [%]	98.9	99.4	93.9
Redundancy	6.8	6.7	6.7
CC(1/2)	0.999	0.998	0.321

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