- PDB-5u57: Psf4 in complex with Fe2+ and (S)-2-HPP -
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Open data
ID or keywords:
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Basic information
Entry
Database: PDB / ID: 5u57
Title
Psf4 in complex with Fe2+ and (S)-2-HPP
Components
(S)-2-hydroxypropylphosphonic acid epoxidase
Keywords
OXIDOREDUCTASE / Fosfomycin / Epoxidase / Oxidase
Function / homology
Function and homology information
(S)-2-hydroxypropylphosphonic acid epoxidase / dioxygenase activity / antibiotic biosynthetic process / DNA binding / metal ion binding Similarity search - Function
Cupin 2, conserved barrel / Cupin domain / RmlC-like cupin domain superfamily / Jelly Rolls / RmlC-like jelly roll fold / Jelly Rolls / Sandwich / Mainly Beta Similarity search - Domain/homology
Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Mar 29, 2014
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97872 Å / Relative weight: 1
Reflection
Resolution: 2.73→84.28 Å / Num. obs: 21630 / % possible obs: 100 % / Redundancy: 5.9 % / CC1/2: 0.995 / Rsym value: 0.102 / Net I/σ(I): 15.7
Reflection shell
Resolution: 2.734→2.743 Å / Redundancy: 6 % / Rmerge(I) obs: 0.706 / Mean I/σ(I) obs: 2.2 / CC1/2: 0.786 / % possible all: 97.6
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0073
refinement
XDS
datareduction
autoPROC
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.73→84.28 Å / Cor.coef. Fo:Fc: 0.84 / Cor.coef. Fo:Fc free: 0.819 / SU B: 18.22 / SU ML: 0.356 / Cross valid method: THROUGHOUT / ESU R Free: 0.476 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.31106
1059
5 %
RANDOM
Rwork
0.25686
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obs
0.25971
19996
97.43 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å