7FPG

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09F06 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)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	87.557, 82.034, 93.225
Unit cell angles	90.00, 107.76, 90.00

Refinement procedure

Resolution	43.140 - 1.600
R-factor	0.2261
Rwork	0.225
R-free	0.26540
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]	43.140	43.140	43.140
High resolution limit [Å]	1.600	4.780	1.600
Rmerge		0.038	4.057
Rmeas	0.063	0.041	4.381
Total number of observations	555789	20990	82370
Number of reflections	79261	3154	11844
<I/σ(I)>	11.86	45.94	0.37
Completeness [%]	95.9	98.5	89
Redundancy	7.01	6.66	6.95
CC(1/2)	0.999	0.997	0.239

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