7FK6

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04B02 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	88.217, 81.815, 93.725
Unit cell angles	90.00, 108.70, 90.00

Refinement procedure

Resolution	43.570 - 1.610
R-factor	0.2035
Rwork	0.202
R-free	0.26190
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]	43.570	43.570	43.570
High resolution limit [Å]	1.610	4.810	1.610
Rmerge		0.044	2.824
Rmeas	0.077	0.048	3.062
Total number of observations	545683	21172	83331
Number of reflections	80483	3144	12462
<I/σ(I)>	10.93	38.08	0.49
Completeness [%]	99.2	99.6	95.5
Redundancy	6.78	6.73	6.69
CC(1/2)	0.999	0.998	0.331

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