7FMM

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06D09 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	89.340, 81.380, 93.417
Unit cell angles	90.00, 108.27, 90.00

Refinement procedure

Resolution	44.010 - 1.690
R-factor	0.2578
Rwork	0.257
R-free	0.28680
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]	44.010	44.010	44.010
High resolution limit [Å]	1.690	5.040	1.690
Rmerge		0.044	2.454
Rmeas	0.081	0.048	2.657
Total number of observations	474586	18121	71895
Number of reflections	69770	2744	10722
<I/σ(I)>	10.59	35.4	0.54
Completeness [%]	98.3	99.5	93.7
Redundancy	6.8	6.6	6.71
CC(1/2)	0.998	0.998	0.385

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