7FP1

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08F04 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	2020-05-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	89.891, 81.724, 93.733
Unit cell angles	90.00, 108.91, 90.00

Refinement procedure

Resolution	44.670 - 1.430
R-factor	0.1929
Rwork	0.192
R-free	0.22160
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]	44.670	44.670	44.670
High resolution limit [Å]	1.430	4.260	1.420
Rmerge		0.035	2.813
Rmeas	0.062	0.037	3.037
Total number of observations	810951	31336	122332
Number of reflections	117017	4574	17894
<I/σ(I)>	12.55	47.68	0.4
Completeness [%]	97.8	99.2	92.7
Redundancy	6.93	6.85	6.84
CC(1/2)	0.999	0.998	0.333

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