7FNR

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07E02 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	88.617, 81.853, 93.475
Unit cell angles	90.00, 108.36, 90.00

Refinement procedure

Resolution	44.630 - 1.600
R-factor	0.2212
Rwork	0.220
R-free	0.26190
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]	44.630	44.630	44.630
High resolution limit [Å]	1.600	4.780	1.600
Rmerge		0.040	3.351
Rmeas	0.085	0.043	3.616
Total number of observations	564000	21527	85446
Number of reflections	80423	3187	12290
<I/σ(I)>	11.05	44.63	0.32
Completeness [%]	96.8	98.9	91.7
Redundancy	7.01	6.75	6.95
CC(1/2)	0.999	0.998	0.275

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