3SGM

Bromoderivative-2 of amyloid-related segment of alphaB-crystallin residues 90-100

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.92
Spacegroup name	I 21 3
Unit cell lengths	65.995, 65.995, 65.995
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.998 - 1.701
R-factor	0.1944
Rwork	0.192
R-free	0.23970
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.796
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	1.680
High resolution limit [Å]	1.620	3.490	1.620
Rmerge	0.033	0.017	0.286
Number of reflections	6043
<I/σ(I)>	28.6
Completeness [%]	97.2	94.1	98.7
Redundancy	3.6	3.4	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1M TRIS pH 7.0, 35% MPD, 0.2M SODIUM CHLORIDE, vapor diffusion, hanging drop, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1M TRIS pH 7.0, 35% MPD, 0.2M SODIUM CHLORIDE, vapor diffusion, hanging drop, temperature 298K