9AX1

Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 2-(6-methyl-2-oxo-4-(2-phenylpropoxy)pyridin-1(2H)-yl)ethyl (3-(1H-imidazol-4-yl)benzyl)carbamate

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 1
Unit cell lengths	46.422, 63.050, 86.525
Unit cell angles	85.11, 86.37, 80.68

Refinement procedure

Resolution	48.610 - 2.000
R-factor	0.2113
Rwork	0.209
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.626
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5127)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.610	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.098	0.234
Rmeas	0.139	0.331
Rpim	0.098	0.234
Number of reflections	58369	4181
<I/σ(I)>	6.3	2.6
Completeness [%]	89.7
Redundancy	1.8	1.7
CC(1/2)	0.976	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% PEG3350, 0.2 M potassium phosphate monobasic, 4 degrees C