2J5A

Folding of S6 structures with divergent amino-acid composition: pathway flexibility within partly overlapping foldons

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2004-03-16
Detector	ADSC CCD
Spacegroup name	P 32 2 1
Unit cell lengths	75.570, 75.570, 55.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.550 - 2.300
R-factor	0.225
Rwork	0.223
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g1x
RMSD bond length	0.012
RMSD bond angle	1.270
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.200	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.080	0.450
Number of reflections	8252
<I/σ(I)>	13.7	4.2
Completeness [%]	98.1	99.3
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			HANGING DROP 14% POLYETHYLENE GLYCOL 3350, 0.2M NA FORMATE, 4UL PROTEIN, 4UL RESERVOIR