8FO5

Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 1-(1-(phenylsulfonyl)-1H-pyrrol-3-yl)ethan-1-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-20
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97741
Spacegroup name	P 1
Unit cell lengths	46.674, 63.568, 87.242
Unit cell angles	84.39, 85.51, 80.09

Refinement procedure

Resolution	48.730 - 1.890
R-factor	0.20367
Rwork	0.201
R-free	0.25028
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m6a
RMSD bond length	0.009
RMSD bond angle	1.582
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.690	2.000
High resolution limit [Å]	1.890	1.890
Rpim	0.047	0.275
Number of reflections	74530	9836
<I/σ(I)>	10.9	2.9
Completeness [%]	95.6
Redundancy	3.5
CC(1/2)	1.000	0.850

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