7FKB

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04C07 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	88.741, 81.589, 93.349
Unit cell angles	90.00, 108.18, 90.00

Refinement procedure

Resolution	42.160 - 1.680
R-factor	0.2759
Rwork	0.275
R-free	0.31730
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]	42.160	42.160	42.160
High resolution limit [Å]	1.680	4.990	1.670
Rmerge		0.054	2.642
Rmeas	0.099	0.059	2.873
Total number of observations	477217	18846	66927
Number of reflections	71241	2818	10169
<I/σ(I)>	8.96	31.12	0.52
Completeness [%]	97.8	99.6	86.8
Redundancy	6.7	6.69	6.58
CC(1/2)	0.998	0.997	0.361

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