7ROJ

Amyloid-related segment of alphaB-crystallin residues 90-100 with G95W mutation

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	PIXEL
Collection date	2020-07-31
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	25.270, 36.330, 64.130
Unit cell angles	90.00, 91.92, 90.00

Refinement procedure

Resolution	64.090 - 1.600
R-factor	0.2431
Rwork	0.239
R-free	0.27690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7rol
RMSD bond length	0.006
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.090	64.090	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.084	0.026	0.916
Rmeas	0.111	0.034	1.215
Number of reflections	14376	162	1091
<I/σ(I)>	6.14	17.32	1.22
Completeness [%]	92.5	83.9	94.7
Redundancy	2.042	1.994	2.051
CC(1/2)	0.995	0.998	0.519

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	1,4-butanediol, HEPES, NaCl, trifluoroacetic acid, glycerol