7FM3

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05H09 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	2020-05-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	89.006, 81.923, 93.772
Unit cell angles	90.00, 108.44, 90.00

Refinement procedure

Resolution	44.730 - 1.650
R-factor	0.2852
Rwork	0.284
R-free	0.31650
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]	44.730	44.730	44.730
High resolution limit [Å]	1.650	4.920	1.650
Rmerge		0.038	2.364
Rmeas	0.060	0.041	2.547
Total number of observations	534105	20370	83721
Number of reflections	74603	2948	11686
<I/σ(I)>	13.01	46.42	0.5
Completeness [%]	96.7	98.5	94
Redundancy	7.16	6.91	7.16
CC(1/2)	0.999	0.998	0.431

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