7FP0

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08F02 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	2020-05-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.403, 81.900, 93.508
Unit cell angles	90.00, 108.29, 90.00

Refinement procedure

Resolution	44.630 - 1.540
R-factor	0.2112
Rwork	0.211
R-free	0.23500
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]	44.630	44.630	44.630
High resolution limit [Å]	1.540	4.590	1.540
Rmerge		0.047	2.554
Rmeas	0.080	0.051	2.762
Total number of observations	649436	25055	100969
Number of reflections	93642	3622	14722
<I/σ(I)>	10.76	38.29	0.41
Completeness [%]	99.4	99.5	97
Redundancy	6.94	6.92	6.86
CC(1/2)	0.999	0.997	0.457

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