7FKR

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E11 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	87.814, 82.024, 93.603
Unit cell angles	90.00, 107.94, 90.00

Refinement procedure

Resolution	44.530 - 1.690
R-factor	0.2064
Rwork	0.205
R-free	0.24210
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]	44.530	44.530	44.530
High resolution limit [Å]	1.690	5.040	1.690
Rmerge		0.030	2.865
Rmeas	0.085	0.033	3.098
Total number of observations	492307	18961	77398
Number of reflections	70744	2747	11307
<I/σ(I)>	11.42	53.37	0.46
Completeness [%]	99.7	99.5	98.9
Redundancy	6.96	6.9	6.85
CC(1/2)	0.999	0.999	0.263

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