- PDB-4uxh: Leishmania major Thymidine Kinase in complex with AP5dT -
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Open data
ID or keywords:
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Basic information
Entry
Database: PDB / ID: 4uxh
Title
Leishmania major Thymidine Kinase in complex with AP5dT
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 / cytosol Similarity search - Function
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9686 Å / Relative weight: 1
Reflection
Resolution: 2.4→45.84 Å / Num. obs: 16728 / % possible obs: 99.9 % / Observed criterion σ(I): 2 / Redundancy: 8.2 % / Rmerge(I) obs: 0.12 / Net I/σ(I): 11
Reflection shell
Resolution: 2.4→2.49 Å / Redundancy: 7.5 % / Rmerge(I) obs: 0.69 / Mean I/σ(I) obs: 2.7 / % possible all: 99.6
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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: 2.4→55.55 Å / Cor.coef. Fo:Fc: 0.947 / Cor.coef. Fo:Fc free: 0.913 / SU B: 15.622 / SU ML: 0.194 / Cross valid method: THROUGHOUT / ESU R: 0.366 / ESU R Free: 0.263 / 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
0.25694
829
5 %
RANDOM
Rwork
0.19546
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obs
0.19839
15762
99.59 %
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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