7FKY

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04G05 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	89.783, 81.789, 93.918
Unit cell angles	90.00, 108.73, 90.00

Refinement procedure

Resolution	44.470 - 1.590
R-factor	0.2313
Rwork	0.230
R-free	0.27360
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]	44.470	44.470	44.470
High resolution limit [Å]	1.590	4.730	1.590
Rmerge		0.056	0.640
Rmeas	0.071	0.060	0.728
Total number of observations	415819	23416	46173
Number of reflections	78496	3351	10605
<I/σ(I)>	11.89	22.78	3.42
Completeness [%]	90.2	99.5	75.5
Redundancy	5.3	6.99	4.35
CC(1/2)	0.998	0.997	0.808

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