7FJV

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03H10 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	2020-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.571, 81.725, 93.587
Unit cell angles	90.00, 108.28, 90.00

Refinement procedure

Resolution	44.430 - 1.630
R-factor	0.1986
Rwork	0.197
R-free	0.24010
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]	44.430	44.430	44.430
High resolution limit [Å]	1.630	4.850	1.630
Rmerge		0.041	2.339
Rmeas	0.075	0.045	2.535
Total number of observations	545954	21148	84994
Number of reflections	79169	3091	12496
<I/σ(I)>	11.96	42.24	0.64
Completeness [%]	99.5	99.7	97.6
Redundancy	6.9	6.84	6.8
CC(1/2)	0.999	0.998	0.333

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