8TFQ

Fab from C10-S66K antibody in complex with fentanyl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	71.288, 73.354, 95.197
Unit cell angles	90.00, 90.53, 90.00

Refinement procedure

Resolution	34.720 - 1.800
R-factor	0.1803
Rwork	0.178
R-free	0.21550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.273
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	87845	4175
<I/σ(I)>	21.1
Completeness [%]	96.9
Redundancy	3.2
CC(1/2)	0.946	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	1.0 M Li-chloride, 10% PEG-6000, 0.1 M Bicine pH 9.0