7FPB

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09C03 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	2020-07-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999873
Spacegroup name	C 1 2 1
Unit cell lengths	89.202, 81.727, 92.837
Unit cell angles	90.00, 108.32, 90.00

Refinement procedure

Resolution	29.400 - 2.020
R-factor	0.2395
Rwork	0.237
R-free	0.28900
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]	29.400	29.400	29.400
High resolution limit [Å]	2.020	5.960	2.020
Rmerge		0.037	0.696
Rmeas	0.058	0.041	0.757
Total number of observations	283774	10776	41843
Number of reflections	41129	1647	6430
<I/σ(I)>	16.62	43.72	2.45
Completeness [%]	99.4	97.9	97.1
Redundancy	6.9	6.54	6.51
CC(1/2)	0.999	0.998	0.916

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