8E1B

Crystal Structure of Nanobody VHH108 Specific for PA14 Cif

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920099
Spacegroup name	P 21 21 2
Unit cell lengths	30.871, 112.147, 33.198
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.200 - 1.650
R-factor	0.2117
Rwork	0.211
R-free	0.21480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jvp
RMSD bond length	0.007
RMSD bond angle	0.836
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.200	1.709
High resolution limit [Å]	1.650	1.650
Rmerge	0.054	1.192
Rmeas	0.059	1.319
Rpim	0.024	0.561
Number of reflections	14566	1430
<I/σ(I)>	15.12	1.14
Completeness [%]	99.9	99.93
Redundancy	6.3	5.4
CC(1/2)	0.999	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292.8	200 mM sodium thiocyanate, 20% (w/v) PEG3350