7FMU

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E11 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	88.720, 81.785, 92.787
Unit cell angles	90.00, 107.93, 90.00

Refinement procedure

Resolution	44.690 - 1.810
R-factor	0.2178
Rwork	0.215
R-free	0.28730
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]	44.690	44.690	44.690
High resolution limit [Å]	1.810	5.400	1.810
Rmerge		0.074	2.905
Rmeas	0.150	0.081	3.152
Total number of observations	388133	14753	58250
Number of reflections	56834	2220	8811
<I/σ(I)>	9.88	33.64	0.48
Completeness [%]	99.2	99.3	95.9
Redundancy	6.83	6.65	6.61
CC(1/2)	0.996	0.994	0.306

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