7FMF

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06C06 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	89.089, 81.873, 93.551
Unit cell angles	90.00, 108.39, 90.00

Refinement procedure

Resolution	44.390 - 1.650
R-factor	0.2048
Rwork	0.204
R-free	0.24450
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]	1.650	4.930	1.650
Rmerge		0.034	2.916
Rmeas	0.059	0.037	3.158
Total number of observations	519859	19632	79050
Number of reflections	75552	2926	11713
<I/σ(I)>	13.72	50.28	0.42
Completeness [%]	99.2	99	95.7
Redundancy	6.88	6.71	6.75
CC(1/2)	0.999	0.998	0.281

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