1E2D
Human thymidylate kinase complexed with thymidine monophosphate, adenosine diphosphate and a magnesium-ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-08-15 |
Detector | BRANDEIS |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 101.000, 101.000, 49.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.400 - 1.650 |
Rwork | 0.201 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tmk |
RMSD bond length | 0.012 |
RMSD bond angle | 1.500 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.460 | 1.700 |
High resolution limit [Å] | 1.630 | 1.630 |
Number of reflections | 31064 | |
<I/σ(I)> | 23.4 | 4 |
Completeness [%] | 95.7 | 75.3 |
Redundancy | 10.5 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 293 | VAPOR DIFFUSION AT 293 K MIXING 2 MICROLITERS OF A SOLUTION CONTAINING THE ENZYME, NUCLEOTIDES, AND 50 MM MGCL2 WITH 2 MICROLITERS OF A SOLUTION CONTAINING 21% PEG 3350, 100 MM TRIS HCL PH 8.0 AND 50 MICROLITERS OF DEAD SEA WATER. AN ADP,TMP COCRYSTAL WAS SOAKED OVERNIGHT IN 250 MM NAF AND 80 MM ALCL3 |