7FK0

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A05 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	2020-06-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.588, 81.632, 93.289
Unit cell angles	90.00, 108.58, 90.00

Refinement procedure

Resolution	44.210 - 1.690
R-factor	0.2728
Rwork	0.271
R-free	0.33100
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]	44.210	44.210	44.210
High resolution limit [Å]	1.690	5.040	1.690
Rmerge		0.045	3.331
Rmeas	0.095	0.049	3.614
Total number of observations	457821	17621	68238
Number of reflections	69442	2726	10486
<I/σ(I)>	9.46	36.39	0.33
Completeness [%]	98.6	99.6	92.5
Redundancy	6.59	6.46	6.51
CC(1/2)	0.998	0.998	0.269

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