7FJY

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A02 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	88.378, 82.017, 93.491
Unit cell angles	90.00, 108.07, 90.00

Refinement procedure

Resolution	42.010 - 1.630
R-factor	0.2047
Rwork	0.204
R-free	0.24650
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]	42.010	42.010	42.010
High resolution limit [Å]	1.630	4.860	1.630
Rmerge		0.029	3.224
Rmeas	0.058	0.032	3.484
Total number of observations	550205	21196	86792
Number of reflections	79055	3060	12638
<I/σ(I)>	13.74	55.56	0.52
Completeness [%]	99.8	99.4	99.2
Redundancy	6.96	6.93	6.87
CC(1/2)	0.999	0.999	0.292

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