CRYSTAL STRUCTURE OF GLYCEROL UPTAKE OPERON ANTITERMINATOR REGULATORY PROTEIN FROM LISTERIA MONOCYTOGENES STR. 4b F2365
Components
Glycerol uptake operon antiterminator regulatory protein
Keywords
TRANSCRIPTIONAL REGULATOR / STRUCTURAL GENOMICS / PSI-2 / ANTITERMINATOR / PROTEIN STRUCTURE INITIATIVE / NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS / NYSGXRC / PHOSPHOGLYCEROL
Function / homology
Aldolase class I / TIM Barrel / Alpha-Beta Barrel / Alpha Beta / Unknown ligand / :
Function and homology information
Biological species
Listeria monocytogenes str. 4b (bacteria)
Method
X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.75 Å
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9792 Å / Relative weight: 1
Reflection
Resolution: 2.75→40 Å / Num. obs: 45680 / % possible obs: 99.7 % / Observed criterion σ(I): -5 / Redundancy: 2.1 % / Biso Wilson estimate: 98.618 Å2 / Rsym value: 0.64 / Net I/σ(I): 6.6
Reflection shell
Resolution: 2.75→2.85 Å / Redundancy: 2.2 % / Rmerge(I) obs: 0.92 / Mean I/σ(I) obs: 0.7 / % possible all: 99.9
-
Processing
Software
Name
Version
Classification
SHELX
modelbuilding
PHENIX
modelbuilding
RESOLVE
modelbuilding
REFMAC
5.3.0034
refinement
HKL-2000
datareduction
HKL-2000
datascaling
SHELX
phasing
PHENIX
phasing
RESOLVE
phasing
Refinement
Method to determine structure: SAD / Resolution: 2.75→20 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.93 / SU B: 35.925 / SU ML: 0.333 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R Free: 0.388 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2715
1405
3.1 %
RANDOM
Rwork
0.21786
-
-
-
obs
0.21964
43659
98.99 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1 Å / Solvent model: MASK
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