1E2G
Human thymidylate kinase complexed with ADP, TDP and a magnesium-ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 101.100, 101.100, 49.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.500 - 1.700 |
Rwork | 0.191 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.300 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.500 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 28445 | |
<I/σ(I)> | 19 | 3.7 |
Completeness [%] | 99.4 | 99.6 |
Redundancy | 4.9 | 4.5 |
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. |