7FMB

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06B06 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	2020-05-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	88.537, 82.127, 93.835
Unit cell angles	90.00, 107.97, 90.00

Refinement procedure

Resolution	42.110 - 1.550
R-factor	0.2115
Rwork	0.211
R-free	0.24250
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]	42.110	42.110	42.110
High resolution limit [Å]	1.550	4.620	1.550
Rmerge		0.042	2.841
Rmeas	0.067	0.045	3.078
Total number of observations	642697	24625	100630
Number of reflections	92676	3567	14728
<I/σ(I)>	12.07	42.04	0.68
Completeness [%]	99.7	99.2	98.5
Redundancy	6.93	6.9	6.83
CC(1/2)	0.999	0.998	0.356

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