9C8Y

X-ray crystal structure of Methylorubrum extorquens Ce(III)-bound LanD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	I 21 3
Unit cell lengths	78.086, 78.086, 78.086
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.880 - 1.800
R-factor	0.1906
Rwork	0.188
R-free	0.24660
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.790
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.880	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	14271	742
<I/σ(I)>	21.8
Completeness [%]	100.0
Redundancy	40
CC(1/2)	0.998	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	100 mM MES, pH 6.5, 50% w/v PEG200