7FKN

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E05 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	88.252, 81.975, 93.680
Unit cell angles	90.00, 108.70, 90.00

Refinement procedure

Resolution	44.480 - 1.550
R-factor	0.2141
Rwork	0.213
R-free	0.25060
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]	44.480	44.480	44.480
High resolution limit [Å]	1.550	4.620	1.550
Rmerge		0.023	2.394
Rmeas	0.045	0.025	2.592
Total number of observations	634630	24339	99360
Number of reflections	91772	3530	14540
<I/σ(I)>	16.47	74.45	0.54
Completeness [%]	99.6	99.4	98.1
Redundancy	6.92	6.89	6.83
CC(1/2)	1.000	0.999	0.444

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