7FL8

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05A03 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	88.888, 81.997, 93.364
Unit cell angles	90.00, 108.15, 90.00

Refinement procedure

Resolution	44.760 - 1.510
R-factor	0.2074
Rwork	0.207
R-free	0.24210
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]	44.760	44.760	44.760
High resolution limit [Å]	1.510	4.500	1.510
Rmerge		0.034	2.932
Rmeas	0.058	0.037	3.177
Total number of observations	691739	26456	108136
Number of reflections	99974	3841	15897
<I/σ(I)>	13.15	50.51	0.52
Completeness [%]	99.7	99.2	98.8
Redundancy	6.92	6.89	6.8
CC(1/2)	0.999	0.999	0.308

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