7FKQ

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E09 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	89.866, 81.226, 93.254
Unit cell angles	90.00, 108.66, 90.00

Refinement procedure

Resolution	44.180 - 1.680
R-factor	0.2094
Rwork	0.208
R-free	0.24850
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]	44.180	44.180	44.180
High resolution limit [Å]	1.680	4.990	1.670
Rmerge		0.047	3.338
Rmeas	0.083	0.051	3.620
Total number of observations	493511	19257	74522
Number of reflections	72477	2828	11232
<I/σ(I)>	9.85	32.83	0.46
Completeness [%]	99.1	99.5	95.5
Redundancy	6.81	6.81	6.63
CC(1/2)	0.998	0.997	0.255

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