1E2F
Human thymidylate kinase complexed with thymidine monophosphate, adenosine diphosphate and a magnesium-ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 101.300, 101.300, 49.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 71.700 - 1.600 |
R-factor | 0.198 * |
Rwork | 0.210 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.700 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.700 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.046 * | 0.155 * |
Total number of observations | 103211 * | |
Number of reflections | 33305 | |
<I/σ(I)> | 20.9 | 4.4 |
Completeness [%] | 96.6 | 98 |
Redundancy | 3.1 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8 | 20 * | 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. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | TMP | 1 (mM) | |
2 | 1 | drop | AppNHp | 20 (mM) | |
3 | 1 | drop | TMPK | 28 (mg/ml) | |
4 | 1 | drop | 50 (mM) | ||
5 | 1 | drop | 200 (mM) | ||
6 | 1 | drop | Tris-HCl | 50 (mM) | |
7 | 1 | reservoir | PEG3350 | 15-22 (%(w/v)) | |
8 | 1 | reservoir | dead sea water | 5 (%(v/v)) | |
9 | 1 | reservoir | Tris-HCl | 100 (mM) |