7FMV

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E12 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	87.617, 85.226, 92.690
Unit cell angles	90.00, 110.53, 90.00

Refinement procedure

Resolution	43.400 - 1.610
R-factor	0.221
Rwork	0.220
R-free	0.25710
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]	43.400	43.400	43.400
High resolution limit [Å]	1.610	4.790	1.600
Rmerge		0.037	2.524
Rmeas	0.077	0.040	2.739
Total number of observations	567745	22190	85948
Number of reflections	82874	3218	12904
<I/σ(I)>	12.82	44.98	0.66
Completeness [%]	99.3	99.5	96
Redundancy	6.85	6.9	6.66
CC(1/2)	0.999	0.999	0.306

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