7FN6

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06H06 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	2020-05-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.966, 81.854, 94.114
Unit cell angles	90.00, 108.61, 90.00

Refinement procedure

Resolution	44.700 - 1.500
R-factor	0.1882
Rwork	0.187
R-free	0.23200
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]	44.700	44.700	44.700
High resolution limit [Å]	1.500	4.470	1.500
Rmerge		0.057	2.101
Rmeas	0.115	0.062	2.270
Total number of observations	705799	27342	107618
Number of reflections	101944	3963	15837
<I/σ(I)>	10.84	33.56	0.74
Completeness [%]	98.7	99.5	95.2
Redundancy	6.92	6.9	6.8
CC(1/2)	0.998	0.996	0.379

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