6K8S

Crystal structure of C-domain of baterial malonyl-CoA reductase

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	2018-07-25
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	110.340, 116.687, 134.113
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.860 - 1.800
R-factor	0.1755
Rwork	0.174
R-free	0.20420
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.673
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.069	0.381
Number of reflections	156374	7610
<I/σ(I)>	31.2
Completeness [%]	97.8
Redundancy	5.2
CC(1/2)	0.996	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	Li2SO4, HEPES