7FL7

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05A01 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	2020-05-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.941, 82.032, 93.699
Unit cell angles	90.00, 108.11, 90.00

Refinement procedure

Resolution	44.850 - 1.720
R-factor	0.2014
Rwork	0.201
R-free	0.22940
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]	44.850	44.850	44.850
High resolution limit [Å]	1.720	5.130	1.720
Rmerge		0.033	2.746
Rmeas	0.078	0.035	2.964
Total number of observations	471404	18009	73750
Number of reflections	67314	2631	10630
<I/σ(I)>	12.01	49.63	0.53
Completeness [%]	98.8	99.4	97.1
Redundancy	7	6.84	6.94
CC(1/2)	0.999	0.999	0.349

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