9C90

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-08-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97949
Spacegroup name	I 21 3
Unit cell lengths	78.164, 78.164, 78.164
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.080 - 1.380
R-factor	0.2212
Rwork	0.221
R-free	0.22340
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.917
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]	39.080	1.420
High resolution limit [Å]	1.380	1.380
Number of reflections	31728	1210
<I/σ(I)>	21.8
Completeness [%]	100.0
Redundancy	39.3
CC(1/2)	1.000	0.477

Crystallization Conditions

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