6IJC

Structure of MMPA-CoA dehydrogenase from Roseovarius nubinhibens ISM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-01-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	81.012, 103.429, 125.963
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.970 - 2.300
R-factor	0.1774
Rwork	0.175
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y9j
RMSD bond length	0.008
RMSD bond angle	0.893
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.970	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.101	0.478
Number of reflections	47323
<I/σ(I)>	19.07
Completeness [%]	99.4
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Bis-Tris propane, PEG 3350, Sodium nitrate