8E1C

Crystal Structure of Nanobody VHH222 Specific for PA14 Cif

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978636
Spacegroup name	P 31 2 1
Unit cell lengths	58.006, 58.006, 75.935
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.900 - 1.900
R-factor	0.2126
Rwork	0.212
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ezj
RMSD bond length	0.010
RMSD bond angle	0.819
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]	41.900	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.075	1.286
Rmeas	0.079	1.379
Rpim	0.025	0.484
Number of reflections	12038	1142
<I/σ(I)>	16.76	1.58
Completeness [%]	99.5	97.35
Redundancy	9.5	7.6
CC(1/2)	0.999	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	292.8	100 mM succinic acid/sodium phosphate monobasic/glycine 2:7:7 (SPG) pH 6.0, 25% (w/v) PEG1500