7FNE

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07B07 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	89.325, 81.686, 93.299
Unit cell angles	90.00, 108.37, 90.00

Refinement procedure

Resolution	44.010 - 1.570
R-factor	0.214
Rwork	0.213
R-free	0.24640
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]	44.010	44.010	44.010
High resolution limit [Å]	1.570	4.660	1.560
Rmerge		0.041	3.402
Rmeas	0.071	0.044	3.680
Total number of observations	590637	23158	89908
Number of reflections	87622	3456	13161
<I/σ(I)>	12.03	43.08	0.51
Completeness [%]	97.2	99.5	90.8
Redundancy	6.74	6.7	6.83
CC(1/2)	0.999	0.998	0.310

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