7FKI

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04D08 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	89.867, 81.763, 93.657
Unit cell angles	90.00, 108.68, 90.00

Refinement procedure

Resolution	44.360 - 1.470
R-factor	0.2025
Rwork	0.202
R-free	0.23640
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]	44.360	44.360	44.360
High resolution limit [Å]	1.470	4.380	1.470
Rmerge		0.041	1.309
Rmeas	0.064	0.044	1.417
Total number of observations	750894	28978	116734
Number of reflections	109131	4214	17226
<I/σ(I)>	13.61	43.15	1.02
Completeness [%]	99.5	99.5	97.4
Redundancy	6.88	6.88	6.78
CC(1/2)	0.999	0.998	0.537

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