8A30

Malonyl-CoA reductase from Chloroflexus aurantiacus - C-terminal Apo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97626
Spacegroup name	C 1 2 1
Unit cell lengths	87.138, 140.181, 74.026
Unit cell angles	90.00, 98.65, 90.00

Refinement procedure

Resolution	55.500 - 1.450
R-factor	0.1775
Rwork	0.176
R-free	0.20100
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.762
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	SHELXD
Refinement software	REFMAC ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.500	1.500
High resolution limit [Å]	1.450	1.450
Rmerge	0.041	1.441
Rmeas	0.058
Rpim	0.041
Number of reflections	154410	15025
<I/σ(I)>	10.6
Completeness [%]	99.4
Redundancy	1.9	1.8
CC(1/2)	0.998	0.203

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.8 M Succinic acid, pH 7.0