3SBW

Crystal structure of the complex between the extracellular domains of mouse PD-1 mutant and human PD-L1

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	2007-08-21
Detector	ADSC QUANTUM 315
Wavelength(s)	1.071
Spacegroup name	P 21 21 21
Unit cell lengths	56.778, 62.843, 160.863
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.420 - 2.280
R-factor	0.221
Rwork	0.218
R-free	0.27040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1npu
RMSD bond length	0.013
RMSD bond angle	1.421
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.280	4.950	2.280
Rmerge	0.093	0.037	0.729
Number of reflections	26816
<I/σ(I)>	7.6
Completeness [%]	99.9	99.2	100
Redundancy	6.1	5.7	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	0.1M Sodium citrate pH 5, 20% PEG 8000, Vapor diffusion, Sitting drop, temperature 277K