7FKL

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E02 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	88.372, 81.935, 93.661
Unit cell angles	90.00, 108.35, 90.00

Refinement procedure

Resolution	44.630 - 1.630
R-factor	0.2395
Rwork	0.238
R-free	0.29170
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]	44.630	44.630	44.630
High resolution limit [Å]	1.630	4.850	1.630
Rmerge		0.036	2.759
Rmeas	0.071	0.039	2.990
Total number of observations	549901	21248	85018
Number of reflections	79116	3077	12476
<I/σ(I)>	11.84	48.51	0.52
Completeness [%]	99.5	99.5	97.5
Redundancy	6.95	6.91	6.81
CC(1/2)	0.999	0.999	0.310

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