1JCC

Crystal Structure of a Novel Alanine-Zipper Trimer at 1.7 A Resolution, V13A,L16A,V20A,L23A,V27A,M30A,V34A mutations

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	95
Detector technology	CCD
Collection date	2000-04-20
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1000
Spacegroup name	C 1 2 1
Unit cell lengths	62.388, 33.322, 71.979
Unit cell angles	90.00, 102.55, 90.00

Refinement procedure

Resolution	50.000 * - 1.700
Rwork	0.192
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eq7
RMSD bond length	0.006
RMSD bond angle	15.500 *
Data reduction software	MADNESS
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.079	0.383
Total number of observations	69970 *
Number of reflections	15821
<I/σ(I)>	7.7	3.3
Completeness [%]	97.6	97.6
Redundancy	2.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	4 *	Sodium acetate, zinc acetate, PEG 8000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	zinc acetate	50 (mM)
3	1	reservoir	sodium acetate	0.1 (M)	pH5.6
4	1	reservoir	zinc acetate	0.1 (M)
5	1	reservoir	PEG8000	18 (%)