7TNI

Structure of EC12 Y1392W variant of BT-R1 from Manduca sexta, a Cry1A toxin binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-01
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.979110
Spacegroup name	P 1 21 1
Unit cell lengths	59.133, 44.579, 94.797
Unit cell angles	90.00, 107.16, 90.00

Refinement procedure

Resolution	56.500 - 1.900
Rwork	0.210
R-free	0.23990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ee0
RMSD bond length	0.014
RMSD bond angle	1.765
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.500	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.070	0.837
Rmeas	0.078	0.922
Rpim	0.032	0.382
Number of reflections	37385	2417
<I/σ(I)>	9.9	1.7
Completeness [%]	99.4	99.9
Redundancy	5.5	5.6
CC(1/2)	0.998	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1M Tris-HCl pH 7.0, 2.8M Magnesium Sulfate