- PDB-4uxi: Leishmania major Thymidine Kinase in complex with thymidine -
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Open data
ID or keywords:
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Basic information
Entry
Database: PDB / ID: 4uxi
Title
Leishmania major Thymidine Kinase in complex with thymidine
Components
THYMIDINE KINASE
Keywords
TRANSFERASE / AP5DT
Function / homology
Function and homology information
thymidine metabolic process / thymidine kinase / thymidine kinase activity / DNA biosynthetic process / ATP binding / metal ion binding Similarity search - Function
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9795 Å / Relative weight: 1
Reflection
Resolution: 2.74→52.46 Å / Num. obs: 13223 / % possible obs: 96.3 % / Observed criterion σ(I): 2 / Redundancy: 20.5 % / Rmerge(I) obs: 0.11 / Net I/σ(I): 17.3
Reflection shell
Resolution: 2.74→2.88 Å / Redundancy: 20.3 % / Rmerge(I) obs: 1.17 / Mean I/σ(I) obs: 2.9 / % possible all: 100
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
MOSFLM
datareduction
Aimless
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.74→104.92 Å / Cor.coef. Fo:Fc: 0.9 / Cor.coef. Fo:Fc free: 0.868 / SU B: 33.22 / SU ML: 0.348 / Cross valid method: THROUGHOUT / ESU R: 0.745 / ESU R Free: 0.387 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES WITH TLS ADDED
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.31039
648
4.9 %
RANDOM
Rwork
0.28221
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obs
0.28353
12506
96.01 %
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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