7FLT

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G04 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	2020-05-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	87.839, 81.784, 93.475
Unit cell angles	90.00, 107.98, 90.00

Refinement procedure

Resolution	43.300 - 1.730
R-factor	0.2609
Rwork	0.259
R-free	0.30500
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]	43.300	43.300	43.300
High resolution limit [Å]	1.730	5.150	1.730
Rmerge		0.044	3.095
Rmeas	0.087	0.048	3.360
Total number of observations	435732	17406	62265
Number of reflections	64698	2571	9510
<I/σ(I)>	10.3	34.89	0.56
Completeness [%]	97.8	99.5	89.3
Redundancy	6.73	6.77	6.55
CC(1/2)	0.998	0.998	0.321

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