6XKR

Structure of Sasanlimab Fab in complex with PD-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 2 21 21
Unit cell lengths	41.453, 90.622, 176.322
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.311 - 2.590
R-factor	0.221
Rwork	0.218
R-free	0.27080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b8c
RMSD bond length	0.002
RMSD bond angle	0.478
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.320	49.310	2.710
High resolution limit [Å]	2.590	8.970	2.590
Rmerge	0.423	0.058	3.462
Rmeas	0.440	0.061	3.604
Rpim	0.121	0.018	0.996
Total number of observations		6647	32632
Number of reflections	21538	615	2534
<I/σ(I)>	7.2	31.7	0.8
Completeness [%]	100.0	99.7	100
Redundancy	12.8	10.8	12.9
CC(1/2)	0.986	0.999	0.413

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	298	0.5M LiCl, 0.1M Citric Acid, pH 4, 22% w/v PEG 6000, 0.5% w/v ODG