3BYC

Joint neutron and X-ray structure of diisopropyl fluorophosphatase. Deuterium occupancies are 1-Q, where Q is occupancy of H

Summary for 3BYC

Related2GVW
DescriptorDiisopropyl-fluorophosphatase, CALCIUM ION (3 entities in total)
Functional Keywordsbeta-propeller, phosphotriesterase, hydrolase
Biological sourceLoligo vulgaris (Squid)
Total number of polymer chains1
Total molecular weight35200.87
Authors
Blum, M.-M.,Mustyakimov, M.,Ruterjans, H.,Schoenborn, B.P.,Langan, P.,Chen, J.C.-H. (deposition date: 2008-01-15, release date: 2009-01-27, Last modification date: 2011-07-13)
Primary citation
Blum, M.M.,Mustyakimov, M.,Ruterjans, H.,Kehe, K.,Schoenborn, B.P.,Langan, P.,Chen, J.C.
Rapid determination of hydrogen positions and protonation states of diisopropyl fluorophosphatase by joint neutron and X-ray diffraction refinement.
Proc.Natl.Acad.Sci.Usa, 106:713-718, 2009
PubMed: 19136630 (PDB entries with the same primary citation)
DOI: 10.1073/pnas.0807842106
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.2 Å)
NEUTRON DIFFRACTION (2.2 Å)
NMR Information
?

Structure validation

ClashscoreRamachandran outliersSidechain outliers20.3%1.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 3byc
no rotation
Molmil generated image of 3byc
rotated about x axis by 90°
Molmil generated image of 3byc
rotated about y axis by 90°