5XXY

Crystal structure of PD-L1 complexed with atezolizumab fab at 2.9A

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	2017-04-30
Detector	MARRESEARCH
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	127.220, 72.710, 63.800
Unit cell angles	90.00, 104.44, 90.00

Refinement procedure

Resolution	61.601 - 2.900
R-factor	0.2389
Rwork	0.236
R-free	0.29480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jds 5ggt
RMSD bond length	0.004
RMSD bond angle	0.845
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.720	3.080
High resolution limit [Å]	2.900	2.900
Rmerge		0.573
Number of reflections	11768
<I/σ(I)>	4.4	1.8
Completeness [%]	91.0	95.3
Redundancy	3
CC(1/2)		0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	2M ammonium sulfate, 0.1M Tris PH 7.0