9N2Z

Crystal Structure of LM2363

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-10
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.00002
Spacegroup name	P 63 2 2
Unit cell lengths	60.913, 60.913, 96.608
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.300 - 1.950
R-factor	0.2464
Rwork	0.241
R-free	0.29130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.759
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.300	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.716	1.471
Rpim	0.160	0.309
Number of reflections	8265	560
<I/σ(I)>	6.9	2.2
Completeness [%]	100.0	100
Redundancy	23.8	24.1
CC(1/2)	0.981	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES pH 7.5, and 30% (v/v) PEG 400