7FLF

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05C06 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	88.221, 81.800, 93.455
Unit cell angles	90.00, 108.19, 90.00

Refinement procedure

Resolution	44.390 - 1.540
R-factor	0.1972
Rwork	0.196
R-free	0.24840
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]	1.540	4.590	1.540
Rmerge		0.045	3.362
Rmeas	0.091	0.048	3.644
Total number of observations	644751	24972	99790
Number of reflections	93370	3621	14604
<I/σ(I)>	9.79	40.22	0.5
Completeness [%]	99.3	99.5	96.4
Redundancy	6.91	6.9	6.83
CC(1/2)	0.999	0.998	0.299

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