9C8X

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

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	PIXEL
Collection date	2023-03-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	I 21 3
Unit cell lengths	77.710, 77.710, 77.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.860 - 1.900
R-factor	0.217
Rwork	0.215
R-free	0.25520
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	0.860
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.860	1.980
High resolution limit [Å]	1.900	1.900
Number of reflections	11068	281
<I/σ(I)>	14.7
Completeness [%]	94.1
Redundancy	33.6
CC(1/2)	1.000	0.659

Crystallization Conditions

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