6U6V

Crystal structure of human PD-1H / VISTA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	28.821, 55.833, 42.271
Unit cell angles	90.00, 97.69, 90.00

Refinement procedure

Resolution	41.890 - 1.900
R-factor	0.2097
Rwork	0.207
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.726
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.097	0.063	0.697
Rmeas	0.115	0.074	0.844
Rpim	0.061	0.039	0.469
Total number of observations	34332
Number of reflections	10041	553	403
<I/σ(I)>	7.4
Completeness [%]	95.2	99.6	75.5
Redundancy	3.4	3.6	2.8
CC(1/2)		0.990	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6	298	0.3 ul protein in HBS with 0.3 ul of crystallization buffer consisting of 100 mM Bis-Tris:HCl pH 6.0 and 28% (v/v) polyethylene glycol monomethyl ether (MW 2000) (Sigma-Aldrich) under a drop of paraffin oil and silicon oil in a 2:1 ratio