9AXP

Crystal Structure of HY11-7E1_Hu3 Fab in Complex with Carfentanil

This is a non-PDB format compatible entry.

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]	100
Detector technology	PIXEL
Collection date	2021-12-22
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.977410
Spacegroup name	I 1 2 1
Unit cell lengths	46.162, 154.893, 159.760
Unit cell angles	90.00, 90.63, 90.00

Refinement procedure

Resolution	49.130 - 2.400
R-factor	0.233
Rwork	0.231
R-free	0.26470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.703
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.130	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.099	0.861
Rmeas	0.118	1.017
Rpim	0.064	0.538
Total number of observations	145927	15887
Number of reflections	43457	4584
<I/σ(I)>	9	1.4
Completeness [%]	99.2
Redundancy	3.4	3.5
CC(1/2)	0.992	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M sodium acetate pH 4.6, 2M ammonium sulfate