7FLC

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05B08 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	87.467, 81.723, 93.498
Unit cell angles	90.00, 108.43, 90.00

Refinement procedure

Resolution	44.350 - 1.950
R-factor	0.2601
Rwork	0.257
R-free	0.31750
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]	44.350	44.350	44.350
High resolution limit [Å]	1.950	5.800	1.950
Rmerge		0.041	2.139
Rmeas	0.069	0.045	2.316
Total number of observations	317342	11957	49215
Number of reflections	45517	1781	7267
<I/σ(I)>	12.53	40.6	0.95
Completeness [%]	99.6	99.1	98.4
Redundancy	6.97	6.71	6.77
CC(1/2)	0.999	0.998	0.502

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