9JBL

Crystal structure of amyloidogenic peptide Bz-FFAALL-NH2

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-14
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	4.813, 32.067, 13.478
Unit cell angles	90.00, 99.24, 90.00

Refinement procedure

Resolution	16.030 - 1.000
R-factor	0.03653
Rwork	0.036
R-free	0.04439
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.555
Data reduction software	XDS (Jun 30, 2023 BUILT=20230630)
Data scaling software	XDS (Jun 30, 2023 BUILT=20230630)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.070	1.050
High resolution limit [Å]	1.000	1.000
Rmerge	0.052	0.063
Rmeas	0.062	0.078
Rpim	0.033	0.045
Number of reflections	2196	303
<I/σ(I)>	25.6
Completeness [%]	99.2	97.9
Redundancy	6.3	5.3
CC(1/2)	0.999	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		298	Formic acid