7FMZ

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06F08 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	88.986, 82.327, 93.645
Unit cell angles	90.00, 108.06, 90.00

Refinement procedure

Resolution	43.840 - 1.670
R-factor	0.2528
Rwork	0.252
R-free	0.27140
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]	43.840	43.840	43.840
High resolution limit [Å]	1.670	4.970	1.660
Rmerge		0.048	2.545
Rmeas	0.073	0.052	2.757
Total number of observations	509708	19859	77761
Number of reflections	74598	2911	11582
<I/σ(I)>	11.52	35.8	0.62
Completeness [%]	99.1	99.4	95.5
Redundancy	6.83	6.82	6.71
CC(1/2)	0.998	0.997	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