7FNS

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07E03 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	89.882, 81.905, 93.784
Unit cell angles	90.00, 108.92, 90.00

Refinement procedure

Resolution	44.360 - 1.450
R-factor	0.2079
Rwork	0.207
R-free	0.24330
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]	44.360	44.360	44.360
High resolution limit [Å]	1.450	4.340	1.450
Rmerge		0.043	2.439
Rmeas	0.081	0.047	2.640
Total number of observations	751758	29196	113753
Number of reflections	110306	4323	16941
<I/σ(I)>	10.61	33.53	0.7
Completeness [%]	97.8	99.5	93.2
Redundancy	6.82	6.75	6.71
CC(1/2)	0.998	0.998	0.288

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