6UGY

Crystal structure of the Fc fragment of anti-TNFa antibody infliximab (Remicade) in a primative orthorhombic crystal form, Lot C

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	50.340, 148.650, 75.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.181
Rwork	0.178
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cdh
RMSD bond length	0.008
RMSD bond angle	0.920
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	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.086	0.034	0.558
Rmeas	0.094	0.038	0.610
Number of reflections	17056	222	1214
<I/σ(I)>	15.26	37.24	3.28
Completeness [%]	99.9	96.1	100
Redundancy	6.101	4.662	6.18
CC(1/2)	0.998	0.999	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	10 mg/mL protein with JCSG+ E7 Opt screen H2 (267146h2): 4% 2-propanol, 200 mM zinc acetate, 100 mM sodium cacodylate, pH 6.8, cryoprotectant: 20% ethylene glycol, puckID kux1-9