1BB1

CRYSTAL STRUCTURE OF A DESIGNED, THERMOSTABLE HETEROTRIMERIC COILED COIL

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	173
Detector technology	IMAGE PLATE
Collection date	1997-10
Detector	RIGAKU
Spacegroup name	P 1 21 1
Unit cell lengths	21.930, 35.010, 66.460
Unit cell angles	90.00, 93.70, 90.00

Refinement procedure

Resolution	6.000 - 1.800
R-factor	0.208
Rwork	0.208
R-free	0.26900
Structure solution method	MAD
RMSD bond length	0.004
RMSD bond angle	16.400 *
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000 *	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.036 *	0.097
Number of reflections	9067
<I/σ(I)>	14.2	8
Completeness [%]	99.2	99.2
Redundancy	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5		pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	Tris-HCl	100 (mM)
3	1	reservoir		50 (mM)
4	1	reservoir	PEG4000	25 (%)