- PDB-4uxj: Leishmania major Thymidine Kinase in complex with dTTP -
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Open data
ID or keywords:
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Basic information
Entry
Database: PDB / ID: 4uxj
Title
Leishmania major Thymidine Kinase in complex with dTTP
Components
THYMIDINE KINASE
Keywords
TRANSFERASE
Function / homology
Function and homology information
thymidine metabolic process / thymidine kinase / thymidine kinase activity / DNA biosynthetic process / phosphorylation / 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: 3→59.54 Å / Num. obs: 29290 / % possible obs: 94.7 % / Observed criterion σ(I): 2 / Redundancy: 2 % / Rmerge(I) obs: 0.14 / Net I/σ(I): 6.2
Reflection shell
Resolution: 3→3.16 Å / Redundancy: 2 % / Rmerge(I) obs: 0.6 / Mean I/σ(I) obs: 2.1 / % possible all: 94.7
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0073
refinement
MOSFLM
datareduction
Aimless
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3→108.69 Å / Cor.coef. Fo:Fc: 0.869 / Cor.coef. Fo:Fc free: 0.845 / SU B: 49.337 / SU ML: 0.457 / Cross valid method: THROUGHOUT / ESU R Free: 0.517 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: U VALUES WITH TLS ADDED. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27837
1404
4.8 %
RANDOM
Rwork
0.2603
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obs
0.26118
27884
94.7 %
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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