8I6Z

Crystal structure of apo-form of malonyl-CoA reductase C-domain from Chloroflexus aurantiacus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-26
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	85.788, 140.355, 73.859
Unit cell angles	90.00, 97.74, 90.00

Refinement procedure

Resolution	26.670 - 1.950
R-factor	0.15806
Rwork	0.156
R-free	0.18810
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.679
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (v5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.069	0.039	0.266
Total number of observations	258517
Number of reflections	62767	5963	5844
<I/σ(I)>	13.9
Completeness [%]	99.5	96	95.6
Redundancy	2.1	2	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	0.1 M ammonium tartrate, 0.1 M Tris-Cl