7BY4

Tetanus neurotoxin receptor binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	66.705, 79.387, 89.753
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.410 - 1.500
R-factor	0.122
Rwork	0.122
R-free	0.16300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1af9
RMSD bond length	0.009
RMSD bond angle	1.436
Data reduction software	HKL-2000
Data scaling software	pointless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.073	0.497
Rmeas	0.079	0.562
Rpim	0.030	0.255
Number of reflections	75134	3415
<I/σ(I)>	26.9	2.43
Completeness [%]	97.6	89.4
Redundancy	6.7	4.6
CC(1/2)		0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Bis-Tris pH 6.0, 0.1 M Pottasium chloride 22.5% PEG 4000