9N2Y

Crystal Structure of LM1843

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	2022-12-13
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	40.679, 49.424, 60.157
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.190 - 1.840
R-factor	0.2106
Rwork	0.209
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.968
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASES
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.160	1.880
High resolution limit [Å]	1.840	1.850
Rmerge	0.471	2.738
Rpim	0.145	0.759
Number of reflections	11012	625
<I/σ(I)>	4.3	1.2
Completeness [%]	99.6	94
Redundancy	12.5	13.2
CC(1/2)	0.985	0.543

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.01 M Zinc sulfate, 0.1 M MES pH 6.5, 25 % PEG 550 MME