7FK1

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A06 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	89.613, 82.690, 94.589
Unit cell angles	90.00, 108.02, 90.00

Refinement procedure

Resolution	45.260 - 1.760
R-factor	0.28125
Rwork	0.280
R-free	0.31524
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]	45.260	45.260	45.260
High resolution limit [Å]	1.760	5.250	1.760
Rmerge		0.070	2.817
Rmeas	0.107	0.076	3.062
Total number of observations	433885	16863	64477
Number of reflections	64386	2525	9862
<I/σ(I)>	9.12	23.49	0.75
Completeness [%]	99.0	99.6	94.3
Redundancy	6.74	6.68	6.54
CC(1/2)	0.997	0.995	0.316

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