8C3L

PaaR2 N-terminal domain in complex with nanobody 33

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	2021-05-27
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.978565
Spacegroup name	P 21 21 21
Unit cell lengths	45.599, 56.563, 128.292
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.166 - 1.597
R-factor	0.220244732048
Rwork	0.219
R-free	0.25436
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.900
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.690
High resolution limit [Å]	1.597	1.597
Rmerge	0.066	1.719
Rmeas	0.069	1.221
Number of reflections	83789	6812
<I/σ(I)>	19.02
Completeness [%]	99.2	95.1
Redundancy	12.7
CC(1/2)	0.999	0.565

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M sodium iodide, 20% PEG 3350