7FO8

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07H06 from the F2X-Universal Library

This is a non-PDB format compatible entry.

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	2020-05-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.444, 81.759, 92.760
Unit cell angles	90.00, 107.98, 90.00

Refinement procedure

Resolution	44.110 - 1.720
R-factor	0.2669
Rwork	0.265
R-free	0.31350
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]	44.110	44.110	44.110
High resolution limit [Å]	1.720	5.110	1.710
Rmerge		0.038	3.232
Rmeas	0.072	0.041	3.507
Total number of observations	456423	17555	68740
Number of reflections	66863	2606	10337
<I/σ(I)>	11.43	41.18	0.54
Completeness [%]	99.1	99.4	95.3
Redundancy	6.83	6.74	6.65
CC(1/2)	0.999	0.999	0.317

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