7FK2

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A07 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	88.915, 81.812, 94.298
Unit cell angles	90.00, 108.71, 90.00

Refinement procedure

Resolution	44.660 - 1.350
R-factor	0.2159
Rwork	0.215
R-free	0.24520
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]	44.660	44.660	44.660
High resolution limit [Å]	1.350	4.030	1.350
Rmerge		0.033	2.815
Rmeas	0.058	0.036	3.043
Total number of observations	964918	37235	150252
Number of reflections	139788	5364	22193
<I/σ(I)>	12.18	52.9	0.35
Completeness [%]	99.4	99.5	98.1
Redundancy	6.9	6.94	6.77
CC(1/2)	0.999	0.999	0.277

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