7FND

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07B06 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	88.832, 81.886, 94.094
Unit cell angles	90.00, 108.82, 90.00

Refinement procedure

Resolution	44.600 - 1.510
R-factor	0.2024
Rwork	0.202
R-free	0.23280
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]	44.600	44.600	44.600
High resolution limit [Å]	1.510	4.500	1.510
Rmerge		0.033	2.006
Rmeas	0.070	0.036	2.174
Total number of observations	690920	26926	108032
Number of reflections	100112	3871	15872
<I/σ(I)>	14.11	50.52	0.95
Completeness [%]	99.6	99.6	97.8
Redundancy	6.9	6.96	6.81
CC(1/2)	0.999	0.999	0.401

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