7FOH

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08B05 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	2020-05-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	89.397, 81.783, 93.429
Unit cell angles	90.00, 108.60, 90.00

Refinement procedure

Resolution	44.270 - 1.690
R-factor	0.2981
Rwork	0.297
R-free	0.33600
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]	1.690	5.030	1.690
Rmerge		0.048	3.222
Rmeas	0.088	0.052	3.487
Total number of observations	464033	17651	67403
Number of reflections	68938	2760	10031
<I/σ(I)>	9.63	34.63	0.3
Completeness [%]	95.9	98.9	86.7
Redundancy	6.73	6.4	6.72
CC(1/2)	0.998	0.996	0.220

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