5ST7

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02E03 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	2020-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	89.321, 81.767, 93.924
Unit cell angles	90.00, 108.86, 90.00

Refinement procedure

Resolution	44.620 - 1.460
R-factor	0.2073
Rwork	0.207
R-free	0.23150
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]	44.620	44.620	44.620
High resolution limit [Å]	1.460	4.350	1.460
Rmerge		0.037	2.235
Rmeas	0.078	0.040	2.425
Total number of observations	756697	29351	116270
Number of reflections	110976	4279	17452
<I/σ(I)>	11.65	45.17	0.67
Completeness [%]	99.4	99.7	96.9
Redundancy	6.82	6.86	6.66
CC(1/2)	0.999	0.999	0.363

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