7FKW

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04F09 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	89.469, 81.917, 93.813
Unit cell angles	90.00, 108.45, 90.00

Refinement procedure

Resolution	44.110 - 1.470
R-factor	0.2061
Rwork	0.206
R-free	0.22490
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]	44.110	44.110	44.110
High resolution limit [Å]	1.470	4.380	1.470
Rmerge		0.043	2.709
Rmeas	0.068	0.046	2.933
Total number of observations	754941	29267	116741
Number of reflections	109162	4215	17229
<I/σ(I)>	11.56	39.92	0.6
Completeness [%]	99.5	99.5	97.3
Redundancy	6.92	6.94	6.78
CC(1/2)	0.999	0.998	0.324

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