7FN2

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06G08 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	88.731, 81.836, 93.037
Unit cell angles	90.00, 108.13, 90.00

Refinement procedure

Resolution	44.210 - 1.620
R-factor	0.2565
Rwork	0.256
R-free	0.29440
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]	44.210	44.210	44.210
High resolution limit [Å]	1.620	4.820	1.620
Rmerge		0.032	2.436
Rmeas	0.053	0.035	2.634
Total number of observations	551654	20612	85029
Number of reflections	80305	3111	12523
<I/σ(I)>	14.87	53.67	0.48
Completeness [%]	99.1	98.7	96
Redundancy	6.87	6.63	6.79
CC(1/2)	0.999	0.998	0.356

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