7FOE

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08A08 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	2020-05-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.272, 81.813, 93.166
Unit cell angles	90.00, 107.82, 90.00

Refinement procedure

Resolution	44.710 - 1.650
R-factor	0.2598
Rwork	0.259
R-free	0.29600
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]	44.710	44.710	44.710
High resolution limit [Å]	1.650	4.930	1.650
Rmerge		0.045	2.470
Rmeas	0.076	0.048	2.669
Total number of observations	509966	19806	77288
Number of reflections	73596	2907	11358
<I/σ(I)>	10.8	36.84	0.54
Completeness [%]	97.6	99.2	93.7
Redundancy	6.93	6.81	6.8
CC(1/2)	0.999	0.998	0.375

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