9QL2

Structure of Rhyzopertha dominica dihydrolipoyl dehydrogenase variant C83A in pre-covalent complex with aspartyl-lipoyllysine at 1.64 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	2023-10-29
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	66.916, 91.770, 142.955
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.740 - 1.640
R-factor	0.1509
Rwork	0.149
R-free	0.18320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.851
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]	77.227	1.672
High resolution limit [Å]	1.640	1.640
Rmeas	0.104	1.139
Number of reflections	107437	5322
<I/σ(I)>	15	2.1
Completeness [%]	99.1	99.9
Redundancy	4.5	9.2
CC(1/2)	0.999	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	Tris, magnesium chloride, sodium chloride, PEG3350, formamide