7FMJ

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06C12 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	88.789, 82.060, 94.372
Unit cell angles	90.00, 108.31, 90.00

Refinement procedure

Resolution	44.860 - 1.500
R-factor	0.218
Rwork	0.217
R-free	0.25270
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]	44.860	44.860	44.860
High resolution limit [Å]	1.500	4.490	1.500
Rmerge		0.040	2.743
Rmeas	0.072	0.043	2.975
Total number of observations	696744	27176	106040
Number of reflections	100957	3909	15642
<I/σ(I)>	11.47	44.07	0.62
Completeness [%]	99.2	99.5	95.6
Redundancy	6.9	6.95	6.78
CC(1/2)	0.999	0.998	0.375

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