- PDB-4r6y: Crystal structure of solute-binding protein stm0429 from salmonel... -
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Open data
ID or keywords:
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Basic information
Entry
Database: PDB / ID: 4r6y
Title
Crystal structure of solute-binding protein stm0429 from salmonella enterica subsp. enterica serovar typhimurium str. lt2, target efi-510776, a closed conformation, in complex with glycerol and acetate
Components
Putative 2-aminoethylphosphonate-binding periplasmic protein
Keywords
TRANSPORT PROTEIN / TRANSPORTER / SBP-TYPE / EFI / STRUCTURAL GENOMICS / Enzyme Function Initiative
Function / homology
Function and homology information
thiamine binding / thiamine transport / thiamine pyrophosphate binding / outer membrane-bounded periplasmic space Similarity search - Function
Resolution: 1.22→1.24 Å / Redundancy: 4.1 % / Rmerge(I) obs: 0.5 / Mean I/σ(I) obs: 2.1 / Rsym value: 0.5 / % possible all: 77.4
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Processing
Software
Name
Version
Classification
SHELX
modelbuilding
ARP/wARP
modelbuilding
REFMAC
5.8.0073
refinement
HKL-2000
datareduction
HKL-2000
datascaling
SHELX
phasing
Refinement
Method to determine structure: SAD / Resolution: 1.22→50 Å / Cor.coef. Fo:Fc: 0.984 / Cor.coef. Fo:Fc free: 0.975 / SU B: 1.193 / SU ML: 0.023 / Cross valid method: THROUGHOUT / ESU R: 0.033 / ESU R Free: 0.035 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.14781
2576
3 %
RANDOM
Rwork
0.11367
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obs
0.11469
82436
97.81 %
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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: BABINET MODEL WITH MASK