7FKO

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E07 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	2020-06-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	89.000, 81.918, 93.824
Unit cell angles	90.00, 108.61, 90.00

Refinement procedure

Resolution	40.960 - 1.510
R-factor	0.2083
Rwork	0.208
R-free	0.23440
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]	40.960	40.960	40.960
High resolution limit [Å]	1.510	4.510	1.510
Rmerge		0.034	2.406
Rmeas	0.058	0.037	2.591
Total number of observations	695668	26591	109902
Number of reflections	97011	3834	15248
<I/σ(I)>	13.36	53.69	0.37
Completeness [%]	96.7	98.8	94.2
Redundancy	7.17	6.94	7.21
CC(1/2)	0.999	0.998	0.330

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