1NA3

Design of Stable alpha-Helical Arrays from an Idealized TPR Motif

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
Detector	ADSC QUANTUM 315
Wavelength(s)	1.100
Spacegroup name	P 21 21 21
Unit cell lengths	44.986, 54.941, 66.938
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.700 * - 1.550
R-factor	0.18102
Rwork	0.178
R-free	0.20700 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.500 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.700	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.042	0.860
Number of reflections	22285
<I/σ(I)>	43.3	2.5
Completeness [%]	99.9	100
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	4 *	Tris, PEG 4000, MgCl2, IPTG, NaCl, pH 8., VAPOR DIFFUSION, HANGING DROP at 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25 (mg/ml)
2	1	drop	Tris	10 (mM)	pH7.5
3	1	drop		50 (mM)
4	1	reservoir	Tris	100 (mM)	pH8.
5	1	reservoir	PEG4000	40 (%)
6	1	reservoir		0.1 (M)
7	1	reservoir	IPTG	10 (%)