6R3K

Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor

Replaces:  5NIX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.91842
Spacegroup name	P 21 21 21
Unit cell lengths	40.527, 84.609, 164.116
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.939 - 2.200
R-factor	0.2167
Rwork	0.214
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c3t
RMSD bond length	0.022
RMSD bond angle	1.852
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.15rc3_3435: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.990	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.050	0.240
Number of reflections	29563	2926
<I/σ(I)>	20
Completeness [%]	100.0	100
Redundancy	6.3	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.01 M Tris pH 8.4 containing 0.28 M sodium chloride and 27% (w/v) PEG 4000