7FMC

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06B07 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	88.819, 82.091, 93.296
Unit cell angles	90.00, 108.02, 90.00

Refinement procedure

Resolution	44.800 - 1.510
R-factor	0.2088
Rwork	0.208
R-free	0.23530
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]	44.800	44.800	44.800
High resolution limit [Å]	1.510	4.500	1.510
Rmerge		0.062	2.584
Rmeas	0.082	0.067	2.785
Total number of observations	693689	26603	108541
Number of reflections	98176	3837	15399
<I/σ(I)>	9.96	30.21	0.43
Completeness [%]	98.0	99.1	95.6
Redundancy	7.07	6.93	7.05
CC(1/2)	0.997	0.994	0.368

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