7FLA

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05A09 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)	0.999873
Spacegroup name	C 1 2 1
Unit cell lengths	89.677, 81.171, 92.962
Unit cell angles	90.00, 108.76, 90.00

Refinement procedure

Resolution	29.340 - 1.870
R-factor	0.2089
Rwork	0.207
R-free	0.25440
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]	29.340	29.340	29.340
High resolution limit [Å]	1.870	5.510	1.870
Rmerge		0.043	0.647
Rmeas	0.068	0.047	0.703
Total number of observations	349080	13578	51862
Number of reflections	51908	2086	7946
<I/σ(I)>	14.37	37.18	1.97
Completeness [%]	99.0	99	94.5
Redundancy	6.72	6.51	6.53
CC(1/2)	0.999	0.998	0.867

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