5XJ4

Complex structure of durvalumab-scFv/PD-L1

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	2016-07-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 2 3
Unit cell lengths	133.890, 133.890, 133.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.340 - 2.300
R-factor	0.217
Rwork	0.216
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rrq 3eyq
RMSD bond length	0.004
RMSD bond angle	0.946
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge		4.415
Number of reflections	36086
<I/σ(I)>	32
Completeness [%]	100.0
Redundancy	21.3	17.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7	291	3.5 M sodium formate, pH 7.0