7U63

Crystal Structure Anti-Oxycodone Antibody HY2-A12 Fab Complexed with Oxycodone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-09-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	67.624, 67.989, 85.623
Unit cell angles	69.13, 67.60, 68.64

Refinement procedure

Resolution	42.850 - 2.300
R-factor	0.2285
Rwork	0.226
R-free	0.28220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tt1
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.240	6.080	2.240
Rmerge	0.034	0.030	0.383
Rmeas	0.049	0.042	0.542
Rpim	0.034	0.030	0.383
Total number of observations	103835
Number of reflections	59023	2933	2898
<I/σ(I)>	14.4
Completeness [%]	97.4	97.1	96.6
Redundancy	1.8	1.8	1.6
CC(1/2)		0.997	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Tris pH 8.5, 0.1M 20% PEG 3350 Isopropanol 20%