7FKU

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04F03 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	88.663, 82.056, 93.309
Unit cell angles	90.00, 108.23, 90.00

Refinement procedure

Resolution	41.030 - 1.550
R-factor	0.2142
Rwork	0.213
R-free	0.24670
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]	41.030	41.030	41.030
High resolution limit [Å]	1.550	4.620	1.550
Rmerge		0.036	3.240
Rmeas	0.064	0.039	3.502
Total number of observations	640901	24713	100679
Number of reflections	92001	3550	14609
<I/σ(I)>	11.21	47.79	0.3
Completeness [%]	99.6	99.4	98.3
Redundancy	6.97	6.96	6.89
CC(1/2)	0.999	0.998	0.327

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