7FM4

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06A01 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	2020-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.015, 82.090, 93.532
Unit cell angles	90.00, 107.93, 90.00

Refinement procedure

Resolution	43.380 - 1.620
R-factor	0.2094
Rwork	0.208
R-free	0.25340
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]	43.380	43.380	43.380
High resolution limit [Å]	1.620	4.810	1.610
Rmerge		0.054	2.826
Rmeas	0.081	0.059	3.055
Total number of observations	553511	21603	81256
Number of reflections	80004	3165	12011
<I/σ(I)>	10.35	32.58	0.59
Completeness [%]	97.8	99.4	91.1
Redundancy	6.92	6.83	6.77
CC(1/2)	0.998	0.996	0.317

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