7FNO

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07D12 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	88.806, 82.126, 94.061
Unit cell angles	90.00, 108.71, 90.00

Refinement procedure

Resolution	44.670 - 1.650
R-factor	0.2109
Rwork	0.210
R-free	0.24830
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]	44.670	44.670	44.670
High resolution limit [Å]	1.650	4.930	1.650
Rmerge		0.049	2.018
Rmeas	0.071	0.054	2.179
Total number of observations	507639	19319	78197
Number of reflections	74569	2937	11319
<I/σ(I)>	12.75	36.93	0.69
Completeness [%]	97.4	98.7	92.1
Redundancy	6.81	6.58	6.91
CC(1/2)	0.998	0.996	0.477

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