9PUK

Neutralizing monoclonal antibody Fab fragment for human 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	2020-06-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	70.215, 207.941, 72.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.330 - 3.300
R-factor	0.2726
Rwork	0.267
R-free	0.31950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.536
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	3.310
High resolution limit [Å]	3.250	8.810	3.250
Rmerge	0.164	0.061	1.439
Rmeas	0.168	0.062	1.538
Rpim	0.036	0.014	0.524
Number of reflections	17545	984	871
<I/σ(I)>	23
Completeness [%]	100.0	100	99.9
Redundancy	21.4	22.2	7.6
CC(1/2)	0.680	0.996	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	Fab at 25 mg/ml in 20 mM Hepes, pH 7.4, 75 mM NaCl versus 1.0 M lithium chloride, 0.1 M citrate pH 4.0, 20% (w/v) PEG 6,000.