7FKV

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04F08 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	88.358, 81.740, 93.028
Unit cell angles	90.00, 108.03, 90.00

Refinement procedure

Resolution	44.230 - 1.750
R-factor	0.2208
Rwork	0.219
R-free	0.28900
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]	44.230	44.230	44.230
High resolution limit [Å]	1.750	5.190	1.740
Rmerge		0.043	2.884
Rmeas	0.116	0.047	3.160
Total number of observations	417538	16546	58296
Number of reflections	63739	2490	9862
<I/σ(I)>	8.92	34.68	0.68
Completeness [%]	99.1	99.4	95.3
Redundancy	6.55	6.64	5.91
CC(1/2)	0.998	0.998	0.402

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