9K2E

Crystal structure of mSMPDL3B-dimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	50.800, 87.430, 93.140
Unit cell angles	90.00, 98.51, 90.00

Refinement procedure

Resolution	39.490 - 2.020
R-factor	0.2228
Rwork	0.222
R-free	0.23390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.705
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.490	2.070
High resolution limit [Å]	2.020	2.020
Number of reflections	103192	3863
<I/σ(I)>	7.7
Completeness [%]	99.7
Redundancy	6.5
CC(1/2)	0.996	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	25% PEG 3350, 0.1M BIS-TRIS [pH 5.5]