7FNM

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07D05 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	89.268, 81.487, 93.226
Unit cell angles	90.00, 108.76, 90.00

Refinement procedure

Resolution	37.050 - 1.720
R-factor	0.2622
Rwork	0.261
R-free	0.28420
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]	37.050	37.050	37.050
High resolution limit [Å]	1.720	5.110	1.710
Rmerge		0.045	2.906
Rmeas	0.082	0.048	3.157
Total number of observations	454042	17208	68305
Number of reflections	67209	2627	10315
<I/σ(I)>	10.62	38.62	0.47
Completeness [%]	99.0	99.4	94.2
Redundancy	6.76	6.55	6.62
CC(1/2)	0.999	0.998	0.260

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