7FMI

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06C11 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	2020-05-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.846, 82.276, 94.390
Unit cell angles	90.00, 108.60, 90.00

Refinement procedure

Resolution	44.730 - 1.340
R-factor	0.1939
Rwork	0.194
R-free	0.21260
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]	44.730	44.730	44.730
High resolution limit [Å]	1.340	4.000	1.340
Rmerge		0.044	2.594
Rmeas	0.061	0.048	2.801
Total number of observations	992229	37914	155093
Number of reflections	143296	5499	22738
<I/σ(I)>	12.12	41.87	0.43
Completeness [%]	99.1	99	97.5
Redundancy	6.92	6.89	6.82
CC(1/2)	0.999	0.997	0.289

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