7FMG

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06C09 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	2020-05-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	89.686, 82.090, 93.033
Unit cell angles	90.00, 108.25, 90.00

Refinement procedure

Resolution	44.830 - 1.710
R-factor	0.2957
Rwork	0.295
R-free	0.32160
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]	44.830	44.830	44.830
High resolution limit [Å]	1.710	5.100	1.710
Rmerge		0.041	3.576
Rmeas	0.078	0.045	3.885
Total number of observations	466555	18124	67207
Number of reflections	68210	2675	10216
<I/σ(I)>	11.22	42.1	0.47
Completeness [%]	98.5	99.7	91.6
Redundancy	6.84	6.78	6.58
CC(1/2)	0.999	0.998	0.246

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