7FNT

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07E12 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	88.959, 82.048, 93.868
Unit cell angles	90.00, 108.37, 90.00

Refinement procedure

Resolution	44.780 - 1.610
R-factor	0.288
Rwork	0.287
R-free	0.31510
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]	44.780	44.780	44.780
High resolution limit [Å]	1.610	4.780	1.600
Rmerge		0.046	3.205
Rmeas	0.077	0.049	3.474
Total number of observations	567770	22053	84046
Number of reflections	83256	3245	12632
<I/σ(I)>	11.12	37.8	0.5
Completeness [%]	98.8	99.3	93.4
Redundancy	6.82	6.8	6.65
CC(1/2)	0.998	0.997	0.286

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