7FPD

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09E01 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	2020-07-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.549, 81.767, 93.212
Unit cell angles	90.00, 108.27, 90.00

Refinement procedure

Resolution	42.040 - 1.610
R-factor	0.2841
Rwork	0.283
R-free	0.32080
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]	42.040	42.040	42.040
High resolution limit [Å]	1.610	4.820	1.610
Rmerge		0.038	3.063
Rmeas	0.069	0.041	3.319
Total number of observations	554391	21695	83762
Number of reflections	80430	3145	12419
<I/σ(I)>	11.27	42.45	0.49
Completeness [%]	99.1	99.5	95
Redundancy	6.89	6.9	6.74
CC(1/2)	0.999	0.998	0.331

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