7FK3

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A09 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	2020-06-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.446, 81.750, 93.372
Unit cell angles	90.00, 108.36, 90.00

Refinement procedure

Resolution	41.970 - 1.590
R-factor	0.2082
Rwork	0.207
R-free	0.23500
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]	41.970	41.970	41.970
High resolution limit [Å]	1.590	4.730	1.590
Rmerge		0.037	3.018
Rmeas	0.068	0.040	3.275
Total number of observations	579758	22401	89155
Number of reflections	84895	3307	13246
<I/σ(I)>	12.15	45.8	0.5
Completeness [%]	99.4	99.6	96.6
Redundancy	6.83	6.77	6.73
CC(1/2)	0.999	0.999	0.302

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