SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED.
Mass: 18.015 Da / Num. of mol.: 378 / Source method: isolated from a natural source / Formula: H2O
Nonpolymer details
(2-OXO)PENTADECYL-COA (NHW): NON-HYDROLYSABLE ANALOGUE OF MYRISTOYLCOA COFACTOR
Sequence details
THE SEQUENCE FOR THIS PROTEIN IS CURRENTLY DEPOSITED ONLY IN THE EMBL NUCLEOTIDE DATA BANK WITH ...THE SEQUENCE FOR THIS PROTEIN IS CURRENTLY DEPOSITED ONLY IN THE EMBL NUCLEOTIDE DATA BANK WITH ACCESSION FN555136 AND IS NOT CURRENTLY AVAILABLE FROM UNIPROT.
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 1.96 Å3/Da / Density % sol: 37 % / Description: NONE
Crystal grow
pH: 4 Details: 0.6 M LICL, 0.05 M NACITRATE PH 4.0, 20% (W/V) PEG 6000
Resolution: 1.42→40 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.958 / SU B: 2.062 / SU ML: 0.037 / Cross valid method: THROUGHOUT / ESU R: 0.072 / ESU R Free: 0.066 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES RESIDUAL ONLY. DISORDERED RESIDUES 1-10, 83-85, 334-339.SOME SIDECHAINS BUILT WITH ZERO OCCUPANCY
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.19055
3603
5 %
RANDOM
Rwork
0.1464
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obs
0.14866
68150
98.03 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK