Crystal structure of periplasmic ABC transporter solute binding protein A7JW62 from Mannheimia haemolytica PHL213, Target EFI-511105, in complex with Myo-inositol
Components
Possible sugar ABC superfamily ATP binding cassette transporter, binding protein
Keywords
TRANSPORT PROTEIN / TRANSPORTER / ABC-TYPE / ENZYME FUNCTION INITIATIVE / EFI / STRUCTURAL GENOMICS
Function / homology
Response regulator / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta / ASPARTIC ACID / beta-D-glucopyranose / 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE / Possible sugar ABC superfamily ATP binding cassette transporter, binding protein
Function and homology information
Biological species
Mannheimia haemolytica (bacteria)
Method
X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 1.75 Å
A: Possible sugar ABC superfamily ATP binding cassette transporter, binding protein B: Possible sugar ABC superfamily ATP binding cassette transporter, binding protein hetero molecules
Mass: 18.015 Da / Num. of mol.: 470 / Source method: isolated from a natural source / Formula: H2O
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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: 2.79 Å3/Da / Density % sol: 55.88 %
Crystal grow
Temperature: 294 K / Method: vapor diffusion, sitting drop / pH: 4.2 Details: PROTEIN (10 MM HEPES PH 7.5, 5 MM DTT, 10 MM MYOINOSITOL); RESERVOIR: 0.1 M Na2HPO4:Citric Acid, PH 4.2, 0.2 M SODIUM CHLORIDE, 20% PEG8000; CRYOPROTECTION: RESERVOIR SOLUTION PLUS 20% ...Details: PROTEIN (10 MM HEPES PH 7.5, 5 MM DTT, 10 MM MYOINOSITOL); RESERVOIR: 0.1 M Na2HPO4:Citric Acid, PH 4.2, 0.2 M SODIUM CHLORIDE, 20% PEG8000; CRYOPROTECTION: RESERVOIR SOLUTION PLUS 20% GLUCOSE (VOL/VOL); VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution: 1.75→1.78 Å / Redundancy: 14.5 % / Rmerge(I) obs: 0.97 / Mean I/σ(I) obs: 3.5 / Rsym value: 0.97 / % possible all: 100
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Processing
Software
Name
Version
Classification
SHELX
modelbuilding
ARP/wARP
modelbuilding
REFMAC
5.8.0073
refinement
HKL-3000
datareduction
HKL-3000
datascaling
SHELX
phasing
Refinement
Method to determine structure: SAD / Resolution: 1.75→50 Å / Cor.coef. Fo:Fc: 0.976 / Cor.coef. Fo:Fc free: 0.964 / SU B: 4.178 / SU ML: 0.07 / Cross valid method: THROUGHOUT / ESU R: 0.088 / ESU R Free: 0.089 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.18733
2148
3 %
RANDOM
Rwork
0.15566
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obs
0.15661
68349
99.24 %
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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