8AEQ

Malonyl-CoA reductase from Chloroflexus aurantiacus - C-terminal R773Q variant

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	2016-10-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	C 1 2 1
Unit cell lengths	102.069, 123.652, 74.252
Unit cell angles	90.00, 105.50, 90.00

Refinement procedure

Resolution	47.670 - 1.640
R-factor	0.1808
Rwork	0.179
R-free	0.20550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8a30
RMSD bond length	0.006
RMSD bond angle	0.765
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.670	1.699
High resolution limit [Å]	1.640	1.640
Rmerge	0.028	0.834
Rmeas	0.040
Rpim	0.028	0.834
Number of reflections	196275	19284
<I/σ(I)>	11.08	1.56
Completeness [%]	96.6	94.63
Redundancy	1.9	1.9
CC(1/2)	0.999	0.368

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M Sodium cacodylate, pH 6.5, 1.4 M Sodium acetate trihydrate