- PDB-3u7z: Crystal structure of a putative metal binding protein RUMGNA_0085... -
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Open data
ID or keywords:
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Basic information
Entry
Database: PDB / ID: 3u7z
Title
Crystal structure of a putative metal binding protein RUMGNA_00854 (ZP_02040092.1) from Ruminococcus gnavus ATCC 29149 at 1.30 A resolution
Components
putative metal binding protein RUMGNA_00854
Keywords
METAL BINDING PROTEIN / THE BINDING PROTEIN / TRANSPORT PROTEIN / STRUCTURAL GENOMICS / JOINT CENTER FOR STRUCTURAL GENOMICS / JCSG / PROTEIN STRUCTURE INITIATIVE / PSI-BIOLOGY
Function / homology
Ferric Hydroxamate Uptake Protein; Chain A, domain 1 - #30 / Domain of unknown function DUF4430 / Domain of unknown function (DUF4430) / Ferric Hydroxamate Uptake Protein; Chain A, domain 1 / Beta Complex / Mainly Beta / metal ion binding / DUF4430 domain-containing protein
Mass: 18.015 Da / Num. of mol.: 167 / Source method: isolated from a natural source / Formula: H2O
Sequence details
THE CONSTRUCT (RESIDUES 32-131) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG ...THE CONSTRUCT (RESIDUES 32-131) WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE.
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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: 1.83 Å3/Da / Density % sol: 32.85 %
Resolution: 1.3→29.504 Å / Cor.coef. Fo:Fc: 0.976 / Cor.coef. Fo:Fc free: 0.959 / Occupancy max: 1 / Occupancy min: 0.3 / SU B: 1.805 / SU ML: 0.034 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.058 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: 1. ETHYLENE GLYCOL, CALCIUM MODELED IS PRESENT IN CRYO/CRYSTALLIZATION CONDITIONS. 2. THERE IS SOME UNEXPLAINED,UNUSUAL DENSITY BETWEEN THE CYS100/SG AND LYS128/NZ. 3. HYDROGENS HAVE BEEN ...Details: 1. ETHYLENE GLYCOL, CALCIUM MODELED IS PRESENT IN CRYO/CRYSTALLIZATION CONDITIONS. 2. THERE IS SOME UNEXPLAINED,UNUSUAL DENSITY BETWEEN THE CYS100/SG AND LYS128/NZ. 3. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.1887
1824
5 %
RANDOM
Rwork
0.1379
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obs
0.1404
36769
95.03 %
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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
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