7FK4

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A11 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	89.237, 82.114, 93.482
Unit cell angles	90.00, 108.25, 90.00

Refinement procedure

Resolution	42.370 - 1.590
R-factor	0.2116
Rwork	0.211
R-free	0.23390
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]	42.370	42.370	42.370
High resolution limit [Å]	1.590	4.740	1.590
Rmerge		0.034	3.139
Rmeas	0.061	0.037	3.401
Total number of observations	594287	22905	92512
Number of reflections	86173	3347	13612
<I/σ(I)>	12.83	49.84	0.42
Completeness [%]	99.5	99.5	97.3
Redundancy	6.9	6.84	6.8
CC(1/2)	0.999	0.998	0.285

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