7FO2

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07G04 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	89.383, 82.258, 93.875
Unit cell angles	90.00, 108.08, 90.00

Refinement procedure

Resolution	44.620 - 2.010
R-factor	0.2432
Rwork	0.241
R-free	0.29430
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]	44.620	44.620	44.620
High resolution limit [Å]	2.010	5.970	2.010
Rmerge		0.031	2.382
Rmeas	0.129	0.034	2.580
Total number of observations	302536	11151	44676
Number of reflections	42900	1689	6672
<I/σ(I)>	11.47	51.15	0.69
Completeness [%]	98.7	98.9	95.6
Redundancy	7.05	6.6	6.7
CC(1/2)	0.999	0.999	0.250

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