7FP4

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08G02 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	88.620, 81.894, 93.900
Unit cell angles	90.00, 108.73, 90.00

Refinement procedure

Resolution	40.950 - 1.450
R-factor	0.1877
Rwork	0.187
R-free	0.22240
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]	40.950	40.950	40.950
High resolution limit [Å]	1.450	4.350	1.450
Rmerge		0.046	2.687
Rmeas	0.078	0.049	2.903
Total number of observations	746064	29130	114419
Number of reflections	109583	4263	16797
<I/σ(I)>	11.46	39.8	0.42
Completeness [%]	98.5	99.6	93.7
Redundancy	6.81	6.83	6.81
CC(1/2)	0.998	0.997	0.331

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