6UMT

High-affinity human PD-1 PD-L2 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	41.291, 67.798, 89.701
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.508 - 1.986
R-factor	0.2012
Rwork	0.198
R-free	0.22620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 3RRQ & 3BP5
RMSD bond length	0.014
RMSD bond angle	1.910
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	1.986	5.400	1.990
Rmerge	0.146	0.119	0.761
Rmeas	0.155	0.127	0.827
Rpim	0.051	0.043	0.315
Number of reflections	17793	1015	774
<I/σ(I)>	5.9
Completeness [%]	98.4	99.8	87.7
Redundancy	8.5	8.7	5.7
CC(1/2)		0.988	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	200 mM magnesium acetate, 10% w/v PEG8000