8I70

Crystal structure of NADP-binding form of malonyl-CoA reductase C-domain from Chloroflexus aurantiacus

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	2016-11-18
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	85.675, 139.644, 73.565
Unit cell angles	90.00, 97.71, 90.00

Refinement procedure

Resolution	26.540 - 1.900
R-factor	0.15425
Rwork	0.152
R-free	0.19129
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8i6z
RMSD bond length	0.013
RMSD bond angle	1.728
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (v5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.064	0.039	0.232
Total number of observations	279616
Number of reflections	67574	6379	6483
<I/σ(I)>	12.9
Completeness [%]	98.8	95.5	98.1
Redundancy	2.1	2	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	0.1 M ammonium tartrate, 0.1 M Tris-Cl