6J14

Complex structure of GY-14 and PD-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.978
Spacegroup name	P 1 21 1
Unit cell lengths	43.422, 75.679, 55.873
Unit cell angles	90.00, 104.31, 90.00

Refinement procedure

Resolution	44.032 - 1.400
R-factor	0.1889
Rwork	0.188
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rrq 3eyq
RMSD bond length	0.007
RMSD bond angle	0.933
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.400	1.400
Number of reflections	66956
<I/σ(I)>	7.69
Completeness [%]	97.1
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	277	0.06 M MgCl2, CaCl2, 0.1 M imidazole-MES (pH 6.5), 18% v/v ethylene glycol and polyethylene glycol 8000