7FMK

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06D03 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	2020-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.606, 81.890, 93.796
Unit cell angles	90.00, 108.44, 90.00

Refinement procedure

Resolution	40.940 - 1.470
R-factor	0.2019
Rwork	0.202
R-free	0.21610
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]	40.940	40.940	40.940
High resolution limit [Å]	1.470	4.380	1.470
Rmerge		0.035	2.460
Rmeas	0.060	0.038	2.662
Total number of observations	746291	28794	116199
Number of reflections	108071	4168	17109
<I/σ(I)>	12.73	49.93	0.43
Completeness [%]	99.6	99.3	98
Redundancy	6.91	6.91	6.79
CC(1/2)	0.999	0.999	0.293

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