8CEI

Succinyl-CoA Reductase from Clostridium kluyveri (SucD)

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	2019-03-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97620
Spacegroup name	P 1 21 1
Unit cell lengths	86.231, 89.339, 137.322
Unit cell angles	90.00, 104.64, 90.00

Refinement procedure

Resolution	39.470 - 2.200
R-factor	0.2429
Rwork	0.242
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k9d
RMSD bond length	0.001
RMSD bond angle	0.392
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.470	2.320
High resolution limit [Å]	2.200	2.200
Rmeas	0.116	0.468
Rpim	0.054	0.220
Total number of observations		62718
Number of reflections	197254	14359
<I/σ(I)>	7.3	2.7
Completeness [%]	99.2
Redundancy	4.4	4.4
CC(1/2)	0.995	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	288.15	25 % w/v Pentaerythritol Propoxylate (5/4 PO/OH) 100 mM MES; pH 6.5 50 mM Magnesium chloride