8AA9

Crystal structure of the Rpa1 AROD-OB-1 domains

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	52.754, 83.475, 56.195
Unit cell angles	90.00, 115.33, 90.00

Refinement procedure

Resolution	32.250 - 1.800
R-factor	0.2095
Rwork	0.209
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Working model of the full RPA
RMSD bond length	0.008
RMSD bond angle	0.950
Data reduction software	XDS (BUILT=20220110)
Data scaling software	STARANISO (2.3.77)
Phasing software	MOLREP (11.7.03)
Refinement software	BUSTER (2.10.4 (3-FEB-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.680	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.058	1.667
Rmeas	0.062	1.800
Rpim	0.024	0.676
Number of reflections	37718	1311
<I/σ(I)>	15.8	1.1
Completeness [%]	92.5	44.2
Redundancy	7	7
CC(1/2)	1.000	0.372

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.01M NiCl2 20% w/v PEG MME 2K 0.1M Tris pH 8.5