7FMY

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06F07 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	89.167, 81.789, 93.252
Unit cell angles	90.00, 108.29, 90.00

Refinement procedure

Resolution	44.270 - 1.650
R-factor	0.2095
Rwork	0.208
R-free	0.25250
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]	44.270	44.270	44.270
High resolution limit [Å]	1.650	4.920	1.650
Rmerge		0.043	2.542
Rmeas	0.075	0.046	2.743
Total number of observations	510894	19668	74083
Number of reflections	74028	2957	10765
<I/σ(I)>	10.92	39.94	0.4
Completeness [%]	96.5	99.3	87
Redundancy	6.9	6.65	6.88
CC(1/2)	0.998	0.997	0.402

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