6LF3

3D domain-swapped dimer of the maltose-binding protein fused to a fragment of the protein-tyrosine kinase 2-beta

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980
Spacegroup name	P 1
Unit cell lengths	78.780, 92.740, 93.610
Unit cell angles	112.46, 101.66, 94.93

Refinement procedure

Resolution	47.900 - 3.200
R-factor	0.2459
Rwork	0.244
R-free	0.28390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bmy
RMSD bond length	0.007
RMSD bond angle	1.348
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.900	3.300
High resolution limit [Å]	3.200	3.200
Rmerge	0.105	0.841
Rmeas	0.126	1.000
Rpim	0.069	0.567
Number of reflections	37579	3539
<I/σ(I)>	3.1	1.03
Completeness [%]	96.8	90.43
Redundancy	3.8
CC(1/2)	0.996	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.5	298	30% (v/v) PEG 400, 0.1M CAPS/Sodium hydroxide