7FJZ

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A04 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	88.699, 81.822, 93.552
Unit cell angles	90.00, 108.31, 90.00

Refinement procedure

Resolution	43.730 - 1.540
R-factor	0.2108
Rwork	0.210
R-free	0.25310
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]	43.730	43.730	43.730
High resolution limit [Å]	1.540	4.580	1.540
Rmerge		0.040	2.806
Rmeas	0.059	0.043	3.024
Total number of observations	649101	25021	99958
Number of reflections	90703	3608	13910
<I/σ(I)>	13.27	45.78	0.57
Completeness [%]	95.9	98.5	91.4
Redundancy	7.16	6.93	7.19
CC(1/2)	0.999	0.998	0.328

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