5WT9

Complex structure of PD-1 and nivolumab-Fab

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	2016-07-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97907
Spacegroup name	P 43 21 2
Unit cell lengths	108.527, 108.527, 145.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.100 - 2.401
R-factor	0.189
Rwork	0.187
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eyq
RMSD bond length	0.011
RMSD bond angle	1.218
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	34630
<I/σ(I)>	32.1
Completeness [%]	100.0
Redundancy	21.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	0.2M Ammonium acetate, 0.1 M BIS-TRIS pH5.5, 25% w/v Polyethylene glycol 3350