6K8W

Crystal structure of N-domain with NADP 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	2018-12-18
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	85.871, 109.114, 130.907
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.760 - 3.170
R-factor	0.2107
Rwork	0.209
R-free	0.27830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6k8v
RMSD bond length	0.006
RMSD bond angle	1.557
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.260
High resolution limit [Å]	3.170	3.200
Rmerge	0.153	0.302
Rpim	0.074	0.173
Number of reflections	20735	987
<I/σ(I)>	13.1
Completeness [%]	97.4
Redundancy	4.6
CC(1/2)	0.979	0.845

Crystallization Conditions

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