1IJ2

GCN4-pVTL Coiled-coil Trimer with Threonine at the a(16) position

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	35.763, 46.332, 51.359
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.700
R-factor	0.243
Rwork	0.243
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.048	0.283
Total number of observations	63455 *
Number of reflections	9570
<I/σ(I)>	23.8	5.8
Completeness [%]	97.3	99.2 *
Redundancy	6.3	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sparse matrix method *	7	298	0.1 M HEPES, 25 mM cadmium sulfate, 1 M sodium acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	HEPES	0.1 (M)
2	1	1	cadmium sulfate	25 (mM)
3	1	1	sodium acetate	1 (M)