5ST9

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02F01 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	89.151, 81.783, 93.917
Unit cell angles	90.00, 108.90, 90.00

Refinement procedure

Resolution	44.020 - 1.400
R-factor	0.1921
Rwork	0.192
R-free	0.22340
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]	44.020	44.020	44.020
High resolution limit [Å]	1.400	4.180	1.400
Rmerge		0.037	2.339
Rmeas	0.066	0.040	2.531
Total number of observations	854978	33469	131334
Number of reflections	124704	4834	19506
<I/σ(I)>	12.53	43.36	0.81
Completeness [%]	98.9	99.4	95.9
Redundancy	6.86	6.92	6.73
CC(1/2)	0.999	0.998	0.389

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