7FNJ

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07C10 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	88.342, 82.063, 93.184
Unit cell angles	90.00, 107.98, 90.00

Refinement procedure

Resolution	44.320 - 1.570
R-factor	0.2168
Rwork	0.216
R-free	0.24930
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]	44.320	44.320	44.320
High resolution limit [Å]	1.570	4.700	1.570
Rmerge		0.043	3.072
Rmeas	0.062	0.047	3.312
Total number of observations	595828	22642	91035
Number of reflections	84017	3335	12778
<I/σ(I)>	12.71	41.37	0.37
Completeness [%]	96.0	98.6	90.5
Redundancy	7.09	6.79	7.12
CC(1/2)	0.999	0.997	0.312

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