6K8V

Crystal structure of N-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	2018-11-21
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	85.637, 109.072, 129.422
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.420 - 2.200
R-factor	0.201
Rwork	0.198
R-free	0.25790
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.673
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.080	0.317
Rpim	0.034	0.162
Number of reflections	60037	2913
<I/σ(I)>	22.6
Completeness [%]	96.7
Redundancy	5.3
CC(1/2)	0.995	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	PEG3350, Li2SO4, Tris