8FNS

X-ray crystal structure of Methylorubrum extorquens AM1 lanmodulin (LanM) with neodymium (III) bound at pH 7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2022-07-30
Detector	RAYONIX MX-300
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	24.099, 44.398, 82.316
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.180 - 1.010
R-factor	0.1456
Rwork	0.145
R-free	0.15240
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.046
High resolution limit [Å]	1.010	1.010
Number of reflections	42844	1876
<I/σ(I)>	26.7
Completeness [%]	90.7
Redundancy	11.9
CC(1/2)	0.986	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.1 M ammonium sulfate, 0.1 M Tris pH 7.5, and 20 % (w/v) PEG 1500