7RTP

Structure of full-length human lambda-6A light chain JTO in complex with urea stabilizer 20 [1-(2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)ethyl)-3-(pyridin-3-ylmethyl)urea]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	63.643, 80.585, 94.645
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.370 - 2.090
R-factor	0.1819
Rwork	0.179
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mg5
RMSD bond length	0.012
RMSD bond angle	1.678
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]	47.370	2.200
High resolution limit [Å]	2.090	2.090
Rpim	0.034	0.210
Number of reflections	29655	4230
<I/σ(I)>	14.9	3.7
Completeness [%]	99.8
Redundancy	12.9
CC(1/2)	1.000	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	20% PEG 3350 and 0.25 M NH4H2PO4 at 23 degrees C