Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase regulated and complexed with PEP
Components
Phospho-2-dehydro-3-deoxyheptonate aldolase
Keywords
TRANSFERASE / DAH7PS / Regulated / Allostery
Function / homology
Function and homology information
3-deoxy-7-phosphoheptulonate synthase / 3-deoxy-7-phosphoheptulonate synthase activity / chorismate biosynthetic process / aromatic amino acid family biosynthetic process / amino acid biosynthetic process / metal ion binding / cytoplasm Similarity search - Function
DAHP synthase, class 1 / DAHP synthetase I/KDSA / DAHP synthetase I family / Aldolase class I / Aldolase-type TIM barrel / TIM Barrel / Alpha-Beta Barrel / Alpha Beta Similarity search - Domain/homology
Journal: To Be Published Title: Structure of Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase regulated and complexed with PEP at 2.05 Angstroms Authors: Heyes, L.C. / Parker, E.J.
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.954 Å / Relative weight: 1
Reflection
Resolution: 2.05→74.96 Å / Num. obs: 97425 / % possible obs: 99.9 % / Redundancy: 3.7 % / Rmerge(I) obs: 0.109 / Net I/σ(I): 8.3
Reflection shell
Resolution: 2.05→2.09 Å / Redundancy: 3.7 % / Rmerge(I) obs: 0.686 / Mean I/σ(I) obs: 1.7 / % possible all: 99.9
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
XDS
datareduction
Aimless
datascaling
PHASER
phasing
Refinement
Resolution: 2.05→74.96 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.934 / SU B: 8.997 / SU ML: 0.125 / Cross valid method: THROUGHOUT / ESU R: 0.178 / ESU R Free: 0.158 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21204
6047
6.2 %
RANDOM
Rwork
0.16867
-
-
-
obs
0.17143
91342
99.82 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK