7FKF

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04D04 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	89.188, 81.606, 92.628
Unit cell angles	90.00, 107.94, 90.00

Refinement procedure

Resolution	44.710 - 1.690
R-factor	0.2015
Rwork	0.200
R-free	0.24820
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]	44.710	44.710	44.710
High resolution limit [Å]	1.690	5.040	1.690
Rmerge		0.044	2.260
Rmeas	0.086	0.048	2.453
Total number of observations	472693	18125	69518
Number of reflections	69922	2738	10585
<I/σ(I)>	10.42	36.05	0.55
Completeness [%]	98.7	99.7	92.7
Redundancy	6.76	6.62	6.57
CC(1/2)	0.999	0.998	0.339

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