6K8U

Crystal structure of C-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	2018-09-16
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97935
Spacegroup name	P 21 21 21
Unit cell lengths	110.857, 116.691, 134.429
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.860 - 2.000
R-factor	0.1764
Rwork	0.174
R-free	0.20490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6k8s
RMSD bond length	0.012
RMSD bond angle	1.738
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	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.077	0.282
Rpim	0.031	0.129
Number of reflections	116476	5779
<I/σ(I)>	34.4
Completeness [%]	99.0
Redundancy	6.4
CC(1/2)	0.993	0.908

Crystallization Conditions

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