6K8T

Crystal structure of C-domain with CoA 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	110.472, 116.244, 134.093
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.890 - 1.900
R-factor	0.17669
Rwork	0.176
R-free	0.19830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6k8s
RMSD bond length	0.012
RMSD bond angle	1.717
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	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.081	0.297
Rmeas	0.088	0.327
Rpim	0.032	0.134
Number of reflections	135215	6666
<I/σ(I)>	27.8	4.8
Completeness [%]	99.3	98.9
Redundancy	6.5	5.3
CC(1/2)	0.998	0.876

Crystallization Conditions

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