8C3K

PaaR2 N-terminal domin 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 32 2 1
Unit cell lengths	67.143, 67.143, 69.707
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.572 - 1.750
R-factor	0.206365317843
Rwork	0.203
R-free	0.23315
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.787
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.700	1.860
High resolution limit [Å]	1.750	1.750
Rmerge	0.054	3.543
Rmeas	0.065	3.641
Number of reflections	18742	2961
<I/σ(I)>	23.98	0.85
Completeness [%]	99.8
Redundancy	19.8
CC(1/2)	0.999	0.589

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.02 M sodium/potassium phosphate, 20% PEG 3350