7FKT

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04F02 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	89.268, 81.781, 93.782
Unit cell angles	90.00, 108.57, 90.00

Refinement procedure

Resolution	44.450 - 1.440
R-factor	0.2107
Rwork	0.210
R-free	0.24720
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]	44.450	44.450	44.450
High resolution limit [Å]	1.440	4.300	1.440
Rmerge		0.031	2.441
Rmeas	0.053	0.034	2.638
Total number of observations	797082	30367	124348
Number of reflections	115395	4418	18303
<I/σ(I)>	13.96	55.93	0.42
Completeness [%]	99.6	99	98.1
Redundancy	6.91	6.87	6.79
CC(1/2)	0.999	0.998	0.307

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