7FNW

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07F07 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	89.273, 82.010, 93.093
Unit cell angles	90.00, 107.71, 90.00

Refinement procedure

Resolution	44.960 - 1.900
R-factor	0.2317
Rwork	0.229
R-free	0.28850
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]	44.960	44.960	44.960
High resolution limit [Å]	1.900	5.650	1.900
Rmerge		0.035	1.985
Rmeas	0.075	0.038	2.153
Total number of observations	337004	13004	46062
Number of reflections	49414	1970	6995
<I/σ(I)>	12.71	44.53	0.73
Completeness [%]	97.7	99.3	86.2
Redundancy	6.82	6.6	6.58
CC(1/2)	0.999	0.999	0.432

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