9PUO

Neutralizing monoclonal antibody Fab fragment bound to leptin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 1
Unit cell lengths	51.927, 48.534, 124.963
Unit cell angles	90.34, 85.21, 70.42

Refinement procedure

Resolution	40.170 - 3.100
R-factor	0.2403
Rwork	0.236
R-free	0.27720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.572
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmerge	0.148	0.033	0.883
Rmeas	0.200	0.044	1.227
Rpim	0.135	0.030	0.849
Total number of observations	38063
Number of reflections	20607	1097	820
<I/σ(I)>	5.2
Completeness [%]	88.9	95.1	66.5
Redundancy	1.8	2	1.4
CC(1/2)	0.940	0.978	0.478

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	Protein at 25 mg/ml in 20 mM Hepes pH 7.4 and 75 mM sodium chloride versus a reservoir with 18% PEG 8,000 and 20% glycerol.