6GNX

Crystal structure of the MAJIN-TERB2 heterotetrameric complex - selenomethionine derivative

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	2018-04-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	P 32 2 1
Unit cell lengths	59.880, 59.880, 159.930
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.329 - 2.900
R-factor	0.2589
Rwork	0.254
R-free	0.30390
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.539
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((dev_3126: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.330	3.080
High resolution limit [Å]	2.900	2.900
Rmeas	0.136	3.015
Rpim	0.024	0.553
Number of reflections	7915	1250
<I/σ(I)>	28.2	2.3
Completeness [%]	100.0	100
Redundancy	56.6	55.1
CC(1/2)	1.000	0.885

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, 55.5 mM MES pH 3.11, 44.5 mM imidazole pH 10.23; 12.5% w/v PEG 1000; 12.5% w/v PEG 3350; 12.5% v/v MPD