6UGW

Crystal structure of the Fc fragment of PF06438179/GP1111 an infliximab biosimilar in a C-centered orthorhombic crystal form, Lot A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-05
Detector	RAYONIX MX-300
Wavelength(s)	0.97857
Spacegroup name	C 2 2 21
Unit cell lengths	50.090, 148.090, 75.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.1825
Rwork	0.181
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cdh
RMSD bond length	0.007
RMSD bond angle	0.891
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.083	0.054	0.497
Rmeas	0.091	0.060	0.543
Number of reflections	19460	249	1417
<I/σ(I)>	13.69	26.79	3.69
Completeness [%]	99.9	95.8	100
Redundancy	6.103	4.759	6.176
CC(1/2)	0.998	0.994	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	10 mg/mL protein with JCSG+ E7 (266849e7): 10% 2-propanol, 200 mM zinc acetate, 100 mM sodium cacodylate, pH 6.5, cryoprotectant: 20% ethylene glycol, puckID kux1-2