5YOY

Crystal structure of the human tumor necrosis factor in complex with golimumab Fv

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	133.640, 85.300, 135.960
Unit cell angles	90.00, 101.61, 90.00

Refinement procedure

Resolution	46.250 - 2.727
R-factor	0.1922
Rwork	0.190
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a8m 5b8c
RMSD bond length	0.003
RMSD bond angle	0.672
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_2210)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.250	46.250	2.800
High resolution limit [Å]	2.730	12.200	2.730
Rmerge	0.107	0.046	0.988
Rmeas	0.127	0.055	1.163
Total number of observations	267101
Number of reflections	77915	908	5439
<I/σ(I)>	9.47	21.46	1.48
Completeness [%]	97.1	94.7	92.8
Redundancy	3.428	3.305	3.52
CC(1/2)	0.993	0.997	0.539

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M sodium acetate trihydrate pH 4.6, 1.4M sodium chloride