7FN0

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06G05 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	2020-05-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	87.346, 85.898, 93.130
Unit cell angles	90.00, 110.49, 90.00

Refinement procedure

Resolution	44.090 - 1.590
R-factor	0.219
Rwork	0.218
R-free	0.24040
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]	44.090	44.090	44.090
High resolution limit [Å]	1.590	4.740	1.590
Rmerge		0.034	2.005
Rmeas	0.067	0.037	2.169
Total number of observations	601921	23185	95315
Number of reflections	86549	3340	13901
<I/σ(I)>	13.43	48.92	0.74
Completeness [%]	99.8	99.6	99.6
Redundancy	6.95	6.94	6.86
CC(1/2)	0.999	0.999	0.321

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