7FPK

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P10E03 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	2020-07-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	87.535, 81.994, 93.663
Unit cell angles	90.00, 108.22, 90.00

Refinement procedure

Resolution	44.480 - 1.590
R-factor	0.2326
Rwork	0.232
R-free	0.26960
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]	44.480	44.480	44.480
High resolution limit [Å]	1.590	4.740	1.590
Rmerge		0.044	3.287
Rmeas	0.063	0.048	3.542
Total number of observations	586155	21708	91489
Number of reflections	81798	3216	12742
<I/σ(I)>	11.15	42.84	0.26
Completeness [%]	96.4	97.7	93.4
Redundancy	7.17	6.75	7.18
CC(1/2)	0.998	0.996	0.338

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