9AXN

Crystal Structure of Anti-Fentanyl Antibody HY11-6B2_Mu Fab in Complex with Fentanyl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-07-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	P 1
Unit cell lengths	69.777, 98.238, 159.724
Unit cell angles	77.73, 85.32, 77.95

Refinement procedure

Resolution	49.370 - 2.400
R-factor	0.2255
Rwork	0.224
R-free	0.26270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.697
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.370	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.106	0.738
Rmeas	0.151	1.044
Rpim	0.106	0.738
Total number of observations	277415	13230
Number of reflections	154677	7517
<I/σ(I)>	5.8	1
Completeness [%]	97.7
Redundancy	1.8	1.8
CC(1/2)	0.989	0.410

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	23% PEG 3350, 0.24M ammonium sulfate, 0.1M bis-tris pH 5.5, 0.01M NiCl2