7FN5

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06H04 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	2020-05-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.754, 81.980, 93.253
Unit cell angles	90.00, 108.21, 90.00

Refinement procedure

Resolution	44.290 - 1.690
R-factor	0.2076
Rwork	0.206
R-free	0.25880
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]	44.290	44.290	44.290
High resolution limit [Å]	1.690	5.040	1.690
Rmerge		0.027	2.709
Rmeas	0.063	0.030	2.935
Total number of observations	474713	18373	69455
Number of reflections	69681	2753	10365
<I/σ(I)>	14.74	58.4	0.69
Completeness [%]	97.9	99.5	90.3
Redundancy	6.81	6.67	6.7
CC(1/2)	0.999	0.999	0.392

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