7FKD

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04C11 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	88.327, 82.053, 93.363
Unit cell angles	90.00, 108.01, 90.00

Refinement procedure

Resolution	44.390 - 1.450
R-factor	0.2075
Rwork	0.207
R-free	0.23150
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]	44.390	44.390	44.390
High resolution limit [Å]	1.450	4.330	1.450
Rmerge		0.041	2.745
Rmeas	0.064	0.044	2.974
Total number of observations	778047	29965	122202
Number of reflections	112155	4297	17990
<I/σ(I)>	11.43	44.43	0.37
Completeness [%]	99.8	99.5	99.3
Redundancy	6.94	6.97	6.79
CC(1/2)	0.999	0.998	0.274

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