8EVD

Crystal Structure of Nanobody VHH101 Bound to Its Antigen 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	2018-08-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979339
Spacegroup name	C 1 2 1
Unit cell lengths	188.960, 91.990, 151.215
Unit cell angles	90.00, 92.54, 90.00

Refinement procedure

Resolution	47.190 - 2.000
R-factor	0.1855
Rwork	0.184
R-free	0.20610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kd2 8e2n
RMSD bond length	0.009
RMSD bond angle	0.966
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]	47.190	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.082	0.902
Rmeas	0.096	1.054
Rpim	0.049	0.530
Number of reflections	165194	16964
<I/σ(I)>	10.57	2.02
Completeness [%]	94.5	97.76
Redundancy	3.6	3.6
CC(1/2)	0.997	0.539

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292.8	15% (v/v) isopropanol, 1 M ammonium citrate/ammonium hydroxide pH 8.5