8CEJ

Succinyl-CoA Reductase from Clostridium kluyveri (SucD) with Mesaconyl-C1-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-05-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97630
Spacegroup name	I 2 2 2
Unit cell lengths	141.890, 190.650, 190.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.100
R-factor	0.2218
Rwork	0.211
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.487
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.115	0.049	0.643
Rmeas	0.125	0.054	0.695
Number of reflections	149464	1720	10976
<I/σ(I)>	12.21
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.997	0.998	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	288.15	100 mM magnesium acetate, 100 mM MOPS pH 7.5, 5 mM mesaconyl-CoA 12% PEG 8000