7FLJ

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05E05 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	2020-05-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.524, 81.931, 93.919
Unit cell angles	90.00, 108.55, 90.00

Refinement procedure

Resolution	44.520 - 1.470
R-factor	0.2076
Rwork	0.207
R-free	0.23040
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]	44.520	44.520	44.520
High resolution limit [Å]	1.470	4.390	1.470
Rmerge		0.041	2.464
Rmeas	0.062	0.044	2.668
Total number of observations	748806	28696	117592
Number of reflections	108005	4158	17265
<I/σ(I)>	12.25	46.15	0.45
Completeness [%]	99.7	99.2	99
Redundancy	6.93	6.9	6.81
CC(1/2)	0.999	0.998	0.353

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