3P4S

Crystal structure of Menaquinol:fumarate oxidoreductase in complex with a 3-nitropropionate adduct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	98.065, 139.006, 276.476
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 3.100
R-factor	0.255
Rwork	0.255
R-free	0.27900
RMSD bond length	0.007
RMSD bond angle	1.651
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	3.100
Number of reflections	64420

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.8	298	10% PEG 5000 mme, 250mM MgAc, 100mM Citrate pH 5.8, 0.1% w/v DTT, 0.1mM EDTA, VAPOR DIFFUSION, temperature 298K