3SGP

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)	0.9794
Spacegroup name	I 21 3
Unit cell lengths	65.681, 65.681, 65.681
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.443 - 1.402
R-factor	0.1779
Rwork	0.175
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sgm
RMSD bond length	0.006
RMSD bond angle	1.084
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.450
High resolution limit [Å]	1.400	3.020	1.400
Rmerge	0.072	0.048	0.499
Number of reflections	9431
<I/σ(I)>	14.9
Completeness [%]	99.8	97.7	100
Redundancy	9	8.8	5

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