7FMP

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E01 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	2020-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	87.633, 81.653, 93.138
Unit cell angles	90.00, 108.26, 90.00

Refinement procedure

Resolution	44.220 - 1.720
R-factor	0.2647
Rwork	0.263
R-free	0.31050
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]	44.220	44.220	44.220
High resolution limit [Å]	1.720	5.120	1.720
Rmerge		0.036	2.539
Rmeas	0.080	0.039	2.759
Total number of observations	448527	17819	67425
Number of reflections	66344	2592	10443
<I/σ(I)>	11.37	42.45	0.67
Completeness [%]	99.5	99.7	97.2
Redundancy	6.76	6.87	6.46
CC(1/2)	0.999	0.999	0.352

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