7FLO

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05F11 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	88.649, 81.985, 93.660
Unit cell angles	90.00, 108.32, 90.00

Refinement procedure

Resolution	44.460 - 1.580
R-factor	0.2124
Rwork	0.212
R-free	0.24220
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]	44.460	44.460	44.460
High resolution limit [Å]	1.580	4.710	1.580
Rmerge		0.043	3.166
Rmeas	0.070	0.047	3.429
Total number of observations	605521	23340	95443
Number of reflections	87222	3362	13954
<I/σ(I)>	10.93	39.61	0.49
Completeness [%]	99.7	99.3	98.8
Redundancy	6.94	6.94	6.84
CC(1/2)	0.999	0.998	0.292

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