7FL0

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04G11 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	2020-06-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.561, 82.233, 94.119
Unit cell angles	90.00, 108.46, 90.00

Refinement procedure

Resolution	44.640 - 1.510
R-factor	0.2127
Rwork	0.212
R-free	0.23560
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]	44.640	44.640	44.640
High resolution limit [Å]	1.510	4.510	1.510
Rmerge		0.027	2.522
Rmeas	0.051	0.029	2.720
Total number of observations	696226	26677	109968
Number of reflections	99435	3859	15751
<I/σ(I)>	15.33	65.31	0.46
Completeness [%]	98.9	99.2	97.1
Redundancy	7	6.91	6.98
CC(1/2)	1.000	0.999	0.316

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