7FP3

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08F11 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	89.625, 81.623, 93.167
Unit cell angles	90.00, 108.51, 90.00

Refinement procedure

Resolution	44.170 - 1.760
R-factor	0.2643
Rwork	0.263
R-free	0.31070
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]	44.170	44.170	44.170
High resolution limit [Å]	1.760	5.220	1.750
Rmerge		0.038	2.886
Rmeas	0.081	0.041	3.137
Total number of observations	426273	16906	62422
Number of reflections	63260	2482	9682
<I/σ(I)>	10.78	40.6	0.58
Completeness [%]	98.8	99.4	93.9
Redundancy	6.74	6.81	6.45
CC(1/2)	0.999	0.999	0.321

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