4Z18

CRYSTAL STRUCTURE OF 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	2014-07-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	C 2 2 21
Unit cell lengths	72.030, 91.480, 135.735
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.345 - 1.952
R-factor	0.2109
Rwork	0.210
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fn3
RMSD bond length	0.007
RMSD bond angle	1.101
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.345	2.055
High resolution limit [Å]	1.952	1.952
Rmerge	0.071	0.054
Number of reflections	32272
<I/σ(I)>	16.4	5.7
Completeness [%]	97.9	96
Redundancy	4.9	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	PEG 3350, sodium chloride, hepes