3RNK

Crystal structure of the complex between mouse PD-1 mutant and PD-L2 IgV domain

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	2008-07-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	36.057, 60.246, 80.087
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.170 - 1.740
R-factor	0.1974
Rwork	0.195
R-free	0.24690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1npu 3bov
RMSD bond length	0.012
RMSD bond angle	1.412
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.740	1.740
Rmerge	0.620	0.155
Number of reflections	17532
<I/σ(I)>	26.23	4.42
Completeness [%]	95.1	69.6
Redundancy	5.9	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.1M HEPES pH 7, 0.1M Magnesium chloride, 15% PEG 4000, Vapor diffusion, Sitting drop, temperature 291K