7FPJ

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P10D05 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	2020-07-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	87.618, 82.036, 93.762
Unit cell angles	90.00, 108.31, 90.00

Refinement procedure

Resolution	44.510 - 1.590
R-factor	0.2235
Rwork	0.223
R-free	0.26130
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]	44.510	44.510	44.510
High resolution limit [Å]	1.590	4.740	1.590
Rmerge		0.033	2.669
Rmeas	0.052	0.036	2.876
Total number of observations	588548	21967	93055
Number of reflections	83303	3248	13128
<I/σ(I)>	13.36	56.73	0.28
Completeness [%]	98.2	98.7	96.2
Redundancy	7.07	6.76	7.09
CC(1/2)	0.999	0.998	0.389

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