7FNH

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07C05 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	88.495, 81.959, 93.193
Unit cell angles	90.00, 108.02, 90.00

Refinement procedure

Resolution	43.590 - 1.570
R-factor	0.2107
Rwork	0.210
R-free	0.24720
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]	43.590	43.590	43.590
High resolution limit [Å]	1.570	4.670	1.560
Rmerge		0.054	2.520
Rmeas	0.076	0.059	2.730
Total number of observations	609180	23403	92625
Number of reflections	88654	3427	13769
<I/σ(I)>	10.99	31.97	0.72
Completeness [%]	99.2	99.5	95.9
Redundancy	6.87	6.83	6.73
CC(1/2)	0.997	0.994	0.429

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