7FMW

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06F06 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	89.054, 82.310, 94.064
Unit cell angles	90.00, 108.71, 90.00

Refinement procedure

Resolution	42.170 - 1.510
R-factor	0.2118
Rwork	0.211
R-free	0.24860
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]	42.170	42.170	42.170
High resolution limit [Å]	1.510	4.500	1.510
Rmerge		0.036	2.438
Rmeas	0.068	0.039	2.646
Total number of observations	695302	27013	107484
Number of reflections	100967	3900	15904
<I/σ(I)>	12.82	47.18	0.68
Completeness [%]	99.4	99.5	97.1
Redundancy	6.89	6.93	6.76
CC(1/2)	0.999	0.999	0.301

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