1NPU

CRYSTAL STRUCTURE OF THE EXTRACELLULAR DOMAIN OF MURINE PD-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9746
Spacegroup name	P 21 21 21
Unit cell lengths	23.965, 50.802, 75.278
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.000
R-factor	0.198
Rwork	0.198
R-free	0.22830 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b88
RMSD bond length	0.005
RMSD bond angle	1.350 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.103 *	0.276
Total number of observations	43650 *
Number of reflections	6677	612 *
Completeness [%]	99.7	97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PEG8000, NaAc, NaCacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	reservoir	PEG8000	20-30 (%)
3	1	reservoir		100 (mM)
4	1	reservoir	sodium cacodylate	100 (mM)	pH6.5