7FM2

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05H04 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	88.006, 81.489, 92.934
Unit cell angles	90.00, 107.80, 90.00

Refinement procedure

Resolution	44.240 - 1.720
R-factor	0.276
Rwork	0.275
R-free	0.31860
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]	44.240	44.240	44.240
High resolution limit [Å]	1.720	5.120	1.720
Rmerge		0.055	2.684
Rmeas	0.087	0.059	2.917
Total number of observations	452098	17786	68596
Number of reflections	66444	2593	10537
<I/σ(I)>	10.05	32.71	0.65
Completeness [%]	99.6	99.6	98.1
Redundancy	6.8	6.86	6.51
CC(1/2)	0.998	0.997	0.390

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