1MFT

Crystal Structure Of Four-Helix Bundle Model

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2001-10-31
Detector	ADSC QUANTUM 4
Wavelength(s)	1.605
Spacegroup name	P 1 21 1
Unit cell lengths	25.233, 54.810, 37.168
Unit cell angles	90.00, 105.08, 90.00

Refinement procedure

Resolution	50.000 * - 2.500
R-factor	0.222
Rwork	0.222
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ec5
RMSD bond length	0.008
RMSD bond angle	17.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.570
High resolution limit [Å]	2.500	2.500
Rmerge	0.100	0.217
Total number of observations	7203 *
Number of reflections	3229
<I/σ(I)>	6.5	3
Completeness [%]	93.8	97.8
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6 *	291	PEG 300, zinc chloride, bis-tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2 (mg/ml)
2	1	reservoir	PEG300	26 (%(w/v))
3	1	reservoir			twofold excess
4	1	reservoir	HEPES	0.1 (M)	pH6.0