7FMT

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E09 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	89.621, 82.021, 93.347
Unit cell angles	90.00, 108.29, 90.00

Refinement procedure

Resolution	44.840 - 1.670
R-factor	0.2087
Rwork	0.208
R-free	0.24570
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]	44.840	44.840	44.840
High resolution limit [Å]	1.670	4.970	1.670
Rmerge		0.047	3.088
Rmeas	0.083	0.051	3.348
Total number of observations	513434	19718	78566
Number of reflections	74672	2899	11728
<I/σ(I)>	11.36	37.99	0.46
Completeness [%]	99.4	99.3	96.9
Redundancy	6.88	6.8	6.7
CC(1/2)	0.998	0.996	0.297

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