3SGN

Bromoderivative-8 of amyloid-related segment of alphaB-crystallin residues 90-100

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	2009-03-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.91963
Spacegroup name	I 21 3
Unit cell lengths	70.342, 70.342, 70.342
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.171 - 2.807
R-factor	0.212
Rwork	0.210
R-free	0.22720
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.579
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.090	0.079	0.663
Number of reflections	2765
<I/σ(I)>	9.8
Completeness [%]	100.0	100	100
Redundancy	6.7	5.9	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1M HEPES pH 7.5, 30% MPD, 0.2M SODIUM CITRATE, vapor diffusion, hanging drop, temperature 298K