3BP5

Crystal structure of the mouse PD-1 and PD-L2 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	43.933, 84.056, 52.108
Unit cell angles	90.00, 107.88, 90.00

Refinement procedure

Resolution	24.950 - 1.800
R-factor	0.19169
Rwork	0.190
R-free	0.22848
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1npu 1pkq
RMSD bond length	0.010
RMSD bond angle	1.347
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.3.0034)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.078	0.035	0.573
Number of reflections	39403
<I/σ(I)>	9.8
Completeness [%]	99.2	99.8	97.8
Redundancy	4.6	5.8	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Sitting drop	8.5	291	20% PEG 6000, 0.1 M Tris pH 8.5, Sitting drop, temperature 291K