6JJP

Crystal structure of Fab of a PD-1 monoclonal antibody MW11-h317 in complex with PD-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97915
Spacegroup name	P 1 2 1
Unit cell lengths	102.610, 54.219, 126.082
Unit cell angles	90.00, 113.92, 90.00

Refinement procedure

Resolution	40.685 - 2.900
R-factor	0.209
Rwork	0.207
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rrq 5wt9
RMSD bond length	0.003
RMSD bond angle	0.639
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.900	6.240	2.900
Rmerge	0.162	0.060	0.986
Rmeas	0.172	0.070
Rpim	0.092	0.035	0.555
Number of reflections	28800	2984	2874
<I/σ(I)>	6.1
Completeness [%]	99.9	99.6	100
Redundancy	4.1	3.9	4.2
CC(1/2)		0.995	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	0.1 M Bis-Tris (pH 6.5) and 28% polyethylene glycol monomethyl ether 2000