7FJW

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03H12 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	89.323, 82.120, 93.239
Unit cell angles	90.00, 108.31, 90.00

Refinement procedure

Resolution	44.780 - 1.630
R-factor	0.2896
Rwork	0.289
R-free	0.30830
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]	44.780	44.780	44.780
High resolution limit [Å]	1.630	4.860	1.630
Rmerge		0.039	2.461
Rmeas	0.056	0.043	2.652
Total number of observations	555986	20835	88057
Number of reflections	78345	3072	12420
<I/σ(I)>	13.49	49.59	0.36
Completeness [%]	98.0	98.8	96.2
Redundancy	7.1	6.78	7.09
CC(1/2)	0.999	0.997	0.314

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