Crystal structure of Molybdenum ABC transporter solute binding protein Vc_A0726 from Vibrio Cholerae, Target EFI-510913, in complex with tungstate
Components
Molybdenum ABC transporter, periplasmic molybdenum-binding protein
Keywords
TRANSPORT PROTEIN / TRANSPORTER / ABC-TYPE / ENZYME FUNCTION INITIATIVE / EFI / STRUCTURAL GENOMICS
Function / homology
Function and homology information
ABC-type molybdate transporter activity / molybdate ion transport / outer membrane-bounded periplasmic space / metal ion binding Similarity search - Function
Molybdate ABC transporter, substrate-binding protein / Bacterial extracellular solute-binding protein / Periplasmic binding protein-like II / D-Maltodextrin-Binding Protein; domain 2 / 3-Layer(aba) Sandwich / Alpha Beta Similarity search - Domain/homology
Mass: 18.015 Da / Num. of mol.: 106 / 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: 2.05 Å3/Da / Density % sol: 40 %
Crystal grow
Temperature: 294 K / Method: vapor diffusion, sitting drop / pH: 7 Details: PROTEIN (10 MM HEPES, PH 7.5, 5 MM DTT, 10 MM SODIUM TUNGSTATE); RESERVOIR: 0.1 M TRIS:HCL, PH 7.0, 0.2 M MAGNESIUM CHLORIDE, 10% PEG8000; CRYOPROTECTION: RESERVOIR SOLUTION PLUS 20% ...Details: PROTEIN (10 MM HEPES, PH 7.5, 5 MM DTT, 10 MM SODIUM TUNGSTATE); RESERVOIR: 0.1 M TRIS:HCL, PH 7.0, 0.2 M MAGNESIUM CHLORIDE, 10% PEG8000; CRYOPROTECTION: RESERVOIR SOLUTION PLUS 20% GLYCEROL (VOL/VOL); VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution: 1.52→1.55 Å / Redundancy: 4.7 % / Rmerge(I) obs: 0.87 / Mean I/σ(I) obs: 2.5 / Rsym value: 0.87 / % 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: 1.52→50 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.958 / SU B: 2.301 / SU ML: 0.062 / Cross valid method: THROUGHOUT / ESU R: 0.08 / ESU R Free: 0.084 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20998
837
2.9 %
RANDOM
Rwork
0.1713
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obs
0.17245
28440
93.06 %
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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