7FPE

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09E03 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	2020-07-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	87.911, 82.116, 93.647
Unit cell angles	90.00, 108.29, 90.00

Refinement procedure

Resolution	44.460 - 1.550
R-factor	0.2186
Rwork	0.218
R-free	0.25170
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]	44.460	44.460	44.460
High resolution limit [Å]	1.550	4.620	1.550
Rmerge		0.037	3.299
Rmeas	0.056	0.040	3.572
Total number of observations	634331	22962	99789
Number of reflections	91640	3473	14512
<I/σ(I)>	12.39	49.21	0.29
Completeness [%]	99.5	97.9	98
Redundancy	6.92	6.61	6.88
CC(1/2)	0.999	0.998	0.296

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