7FM8

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06A09 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	89.822, 81.947, 93.550
Unit cell angles	90.00, 108.58, 90.00

Refinement procedure

Resolution	39.940 - 1.550
R-factor	0.2148
Rwork	0.214
R-free	0.24190
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]	39.940	39.940	39.940
High resolution limit [Å]	1.550	4.620	1.550
Rmerge		0.029	2.312
Rmeas	0.059	0.032	2.506
Total number of observations	643128	24904	101546
Number of reflections	93287	3600	14899
<I/σ(I)>	14.1	56.32	0.66
Completeness [%]	99.7	99.3	98.7
Redundancy	6.89	6.92	6.82
CC(1/2)	0.999	0.999	0.378

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