9PMT

Structure of an anti-VHH fab fragment bound to nanobody Nb33

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1159
Spacegroup name	P 21 21 21
Unit cell lengths	64.551, 66.785, 141.608
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.800 - 2.260
R-factor	0.2054
Rwork	0.203
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.798
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	141.610	2.330
High resolution limit [Å]	2.260	2.260
Rmerge	0.144	1.482
Rmeas	0.150	1.531
Rpim	0.041	0.433
Total number of observations	385501
Number of reflections	29448	2623
<I/σ(I)>	13.6
Completeness [%]	99.8
Redundancy	13.1	12.5
CC(1/2)	0.998	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	0.1 M Sodium HEPES pH 7.5 and 20% w/v PEG 8000