7FNN

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07D07 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	2020-05-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.587, 81.669, 92.991
Unit cell angles	90.00, 108.13, 90.00

Refinement procedure

Resolution	44.600 - 1.650
R-factor	0.22
Rwork	0.219
R-free	0.26760
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]	44.600	44.600	44.600
High resolution limit [Å]	1.650	4.930	1.650
Rmerge		0.040	3.174
Rmeas	0.083	0.043	3.445
Total number of observations	511784	19569	77831
Number of reflections	74742	2903	11696
<I/σ(I)>	12.31	45.53	0.53
Completeness [%]	99.4	99.4	96.6
Redundancy	6.85	6.74	6.65
CC(1/2)	0.999	0.998	0.276

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