7QT2

Antibody FenAb208 - fentanyl complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-04
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 41
Unit cell lengths	153.337, 153.337, 45.986
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.490 - 1.920
R-factor	0.1971
Rwork	0.195
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7qt0
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.490	1.990
High resolution limit [Å]	1.920	1.920
Rmerge	0.083
Number of reflections	82358	8154
<I/σ(I)>	11.69	1.05
Completeness [%]	99.8
Redundancy	5
CC(1/2)	0.999	0.577

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	281	30 % (V/V) PEG400, 0.1 M TEA, 0.2 M MgSO4