6GNY

Crystal structure of the MAJIN-TERB2 heterotetrameric complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	59.970, 88.390, 111.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.350 - 1.850
R-factor	0.1893
Rwork	0.188
R-free	0.20720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gnx
RMSD bond length	0.003
RMSD bond angle	0.627
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((dev_3126))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.350	1.890
High resolution limit [Å]	1.850	1.850
Rmeas	0.039	1.374
Rpim	0.014	0.504
Number of reflections	25741	1565
<I/σ(I)>	23.1	1.5
Completeness [%]	100.0	100
Redundancy	7.3	7.3
CC(1/2)	0.999	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.12M 1,6-Hexanediol; 0.12M 1-Butanol; 0.12M 1,2-Propanediol (racemic); 0.12M 2-Propanol; 0.12M 1,4-Butanediol; 0.12M 1,3-Propanediol; 39.1 mM bicine pH 5.03; 60.9 mM Trizma pH 10.83; 18.3% w/v PEG 1000; 18.3% w/v PEG 3350; 18.3% v/v MPD