5TJR

X-ray Crystal structure of a methylmalonate semialdehyde dehydrogenase from Pseudomonas sp. AAC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	115.891, 156.631, 192.246
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.000 - 2.950
R-factor	0.21417
Rwork	0.212
R-free	0.24862
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zz7
RMSD bond length	0.012
RMSD bond angle	1.686
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.600	3.010
High resolution limit [Å]	2.950	2.950
Rmerge	0.178	1.607
Number of reflections	74332
<I/σ(I)>	11.5	2
Completeness [%]	99.9	100
Redundancy	14.7	15
CC(1/2)	0.998	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	281	Protein at 5 mg/mL with added acetyl-CoA; crystal conditions were 100 mM bis-tris propane at pH 7.6, 24% PEG 3350, 210 mM trisodium citr ate in 150 plus 150 nL drops.