9DD4

Crystal Structure of Designed facilitated dissociation target LHD101An1: LHD101A with an N-terminal extension

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	2023-03-01
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97911
Spacegroup name	P 21 21 21
Unit cell lengths	64.972, 70.666, 76.393
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.880 - 2.110
R-factor	0.2249
Rwork	0.222
R-free	0.26160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.339
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_4761)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.880	2.170
High resolution limit [Å]	2.110	2.110
Rmerge	0.037	0.911
Rpim	0.015	0.384
Number of reflections	20779	1711
<I/σ(I)>	21.25	1.8
Completeness [%]	99.6	99.82
Redundancy	6.4	6.5
CC(1/2)	1.000	0.929

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1 M Sodium acetate pH 5.0, 5% w/v gamma-PGA (Na+ from, LM) and 30% v/v PEG 400