7FKE

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04C12 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	88.562, 81.991, 93.571
Unit cell angles	90.00, 108.25, 90.00

Refinement procedure

Resolution	44.700 - 1.480
R-factor	0.2071
Rwork	0.207
R-free	0.23560
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]	44.700	44.700	44.700
High resolution limit [Å]	1.480	4.420	1.480
Rmerge		0.030	2.192
Rmeas	0.050	0.033	2.362
Total number of observations	732191	27897	115672
Number of reflections	103835	4055	16373
<I/σ(I)>	14.6	59.15	0.42
Completeness [%]	98.0	99	96.3
Redundancy	7.05	6.88	7.06
CC(1/2)	0.999	0.999	0.415

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