1JMB

CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-05-01
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	37.121, 112.451, 79.877
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.247 *
Rwork	0.247
R-free	0.31800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	THEORETICAL MODEL
RMSD bond length	0.029
RMSD bond angle	4.300 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.200 *	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.104	0.329
Total number of observations	18643 *
Number of reflections	7562
<I/σ(I)>	5.5	2.3
Completeness [%]	87.3	90.5
Redundancy	2.5	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277 *	PEG 200, DMSO, Mn(CH3COO)2 , TRIS, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 279K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	100 (mg/ml)
2	1	reservoir	PEG200
3	1	reservoir		0.03 (M)
4	1	reservoir	Tris-HCl	0.1 (M)	pH7.5