7FKZ

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04G08 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	2020-06-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.807, 81.861, 92.544
Unit cell angles	90.00, 107.82, 90.00

Refinement procedure

Resolution	44.050 - 1.580
R-factor	0.2142
Rwork	0.213
R-free	0.25350
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]	44.050	44.050	44.050
High resolution limit [Å]	1.580	4.700	1.580
Rmerge		0.044	3.216
Rmeas	0.071	0.048	3.489
Total number of observations	588279	22783	89927
Number of reflections	86406	3361	13441
<I/σ(I)>	11.27	40.09	0.43
Completeness [%]	99.2	99.6	95.7
Redundancy	6.81	6.78	6.69
CC(1/2)	0.999	0.997	0.252

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