3HJN
Crystal structure of thymidylate kinase in complex with dTDP and ADP from Thermotoga maritima
Replaces: 2Z0HExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-12 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 51.587, 127.050, 133.519 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.800 - 2.100 |
Rwork | 0.226 |
R-free | 0.28500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ccg |
RMSD bond length | 0.008 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 25815 | |
<I/σ(I)> | 37.361 | 3.964 |
Completeness [%] | 98.7 | 91.4 |
Redundancy | 6.701 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 293 | 0.2M LiSulfate, 20% PEG 3350, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K |