3LTJ

Structure of a new family of artificial alpha helicoidal repeat proteins (alpha-Rep) based on thermostable HEAT-like repeats

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9197
Spacegroup name	P 21 21 2
Unit cell lengths	64.630, 85.180, 34.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.744 - 1.800
R-factor	0.1768
Rwork	0.174
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ltm
RMSD bond length	0.005
RMSD bond angle	0.892
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.064	0.426
Number of reflections	17826
<I/σ(I)>	17	2.9
Completeness [%]	97.8	97.6
Redundancy	5.4	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	292	4% MPD, 0.1M Na citrate pH 5.6, 0.1M MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 292K