8AEW

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92819
Spacegroup name	P 21 21 21
Unit cell lengths	54.761, 86.787, 260.489
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	82.340 - 2.720
R-factor	0.2462
Rwork	0.244
R-free	0.29040
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.122
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	CRANK2
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.340	2.817
High resolution limit [Å]	2.720	2.720
Rmerge	0.110	1.273
Rmeas	0.155	1.000
Rpim	0.110	1.000
Number of reflections	68074	6553
<I/σ(I)>	7.5
Completeness [%]	98.5	96.09
Redundancy	2	2
CC(1/2)	0.993	0.478

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M Sodium cacodylate, pH 6.5, 40% (w/v) MPD 5% (w/v) PEG 8000