9QLA

Structure of Rhyzopertha dominica dihydrolipoyl dehydrogenase variant S425G in complex with aspartyl-R-lipoyllysine at 1.28 angstrom resolution

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-06
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	66.997, 91.720, 142.795
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.860 - 1.280
R-factor	0.1411
Rwork	0.140
R-free	0.16540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.885
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.860	1.310
High resolution limit [Å]	1.280	1.280
Rmeas	0.086	1.765
Number of reflections	224486	16361
<I/σ(I)>	20.97	2.08
Completeness [%]	99.4
Redundancy	13.2	13.1
CC(1/2)	1.000	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Tris, Magnesium chloride, PEG3350, Formamide