7FM5

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06A02 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	2020-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.326, 82.080, 93.267
Unit cell angles	90.00, 108.18, 90.00

Refinement procedure

Resolution	44.310 - 1.560
R-factor	0.2132
Rwork	0.213
R-free	0.23380
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]	44.310	44.310	44.310
High resolution limit [Å]	1.560	4.650	1.560
Rmerge		0.034	1.674
Rmeas	0.049	0.037	1.809
Total number of observations	625220	23528	98723
Number of reflections	90042	3450	14348
<I/σ(I)>	15.42	54.69	0.65
Completeness [%]	99.7	98.9	98.6
Redundancy	6.94	6.82	6.88
CC(1/2)	0.999	0.998	0.539

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