7FKP

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E08 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	88.514, 81.691, 93.381
Unit cell angles	90.00, 108.38, 90.00

Refinement procedure

Resolution	44.560 - 1.520
R-factor	0.2076
Rwork	0.207
R-free	0.23100
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]	44.560	44.560	44.560
High resolution limit [Å]	1.520	4.550	1.520
Rmerge		0.032	2.611
Rmeas	0.061	0.035	2.831
Total number of observations	645200	24766	100910
Number of reflections	95555	3707	14983
<I/σ(I)>	13.95	54.02	0.53
Completeness [%]	99.3	99.4	96.6
Redundancy	6.75	6.68	6.73
CC(1/2)	0.999	0.999	0.377

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