7FPH

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09G03 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)	0.999873
Spacegroup name	C 1 2 1
Unit cell lengths	88.761, 81.907, 93.515
Unit cell angles	90.00, 108.65, 90.00

Refinement procedure

Resolution	29.910 - 1.910
R-factor	0.2225
Rwork	0.221
R-free	0.26740
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]	29.910	29.910	29.910
High resolution limit [Å]	1.910	5.650	1.910
Rmerge		0.042	0.714
Rmeas	0.075	0.048	0.774
Total number of observations	306470	7591	50632
Number of reflections	48368	1901	7615
<I/σ(I)>	12.23	26.93	2.35
Completeness [%]	98.7	96.1	96.7
Redundancy	6.34	3.99	6.65
CC(1/2)	0.997	0.995	0.928

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