8JEP

Crystal structure of Ociperlimab

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	2020-11-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	63.500, 112.300, 159.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.860 - 1.700
R-factor	0.1856
Rwork	0.184
R-free	0.21010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.852
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.650	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.052	1.145
Rmeas	0.054	1.201
Rpim	0.015	0.359
Total number of observations	1669149	101839
Number of reflections	126278	9236
<I/σ(I)>	22.5	2.1
Completeness [%]	100.0
Redundancy	13.2	11
CC(1/2)	0.999	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.095 M sodium citrate pH 5.6, 19% isopropanol, 19% PEG4000, 5% glycerol