7FLY

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G10 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	2020-05-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.658, 82.073, 93.461
Unit cell angles	90.00, 108.22, 90.00

Refinement procedure

Resolution	44.390 - 1.550
R-factor	0.2109
Rwork	0.210
R-free	0.24300
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]	44.390	44.390	44.390
High resolution limit [Å]	1.550	4.620	1.550
Rmerge		0.035	2.034
Rmeas	0.055	0.038	2.190
Total number of observations	640689	24376	100437
Number of reflections	89118	3510	13848
<I/σ(I)>	13.86	50.23	0.58
Completeness [%]	96.3	98.1	93
Redundancy	7.19	6.94	7.25
CC(1/2)	0.999	0.998	0.556

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