3SGR

Tandem repeat of amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 61
Unit cell lengths	52.340, 52.340, 87.330
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.670 - 2.170
R-factor	0.1889
Rwork	0.184
R-free	0.23400
Structure solution method	SIRAS
RMSD bond length	0.010
RMSD bond angle	1.400
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.670		2.060
High resolution limit [Å]	2.010	8.980	2.010
Rmerge	0.052	0.012	0.012
Number of reflections	8991	79	633
<I/σ(I)>	10.53	26.98	0.82
Completeness [%]	99.0	74.5	95.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1M SODIUM CACODYLATE pH 6.5, 30% MPD, 0.2M MAGNESIUM ACETATE, vapor diffusion, hanging drop, temperature 298K