7AMP

Crystal structure of the complex of HuJovi-1 Fab with the human A6 T-cell receptor TRBC1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9282
Spacegroup name	C 1 2 1
Unit cell lengths	117.390, 91.050, 125.260
Unit cell angles	90.00, 93.82, 90.00

Refinement procedure

Resolution	54.440 - 2.640
R-factor	0.239
Rwork	0.236
R-free	0.28910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c56 5men 3d85 1a4j
RMSD bond length	0.007
RMSD bond angle	1.161
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.440	2.690
High resolution limit [Å]	2.640	2.640
Rmerge	0.118	1.669
Number of reflections	38805	1938
<I/σ(I)>	9.9	0.93
Completeness [%]	99.9	99.8
Redundancy	6.1	6.3
CC(1/2)	0.998	0.625

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	11.2 mg/ml complex in PBS buffer. 0.1 M sodium cacodylate pH 6.0, 3% PEG 8000, 5 mM Zn acetate, 4% benzamidine.