2QQ0
Thymidine Kinase from Thermotoga Maritima in complex with thymidine + AppNHp
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.160, 59.310, 61.300 |
| Unit cell angles | 90.00, 103.02, 90.00 |
Refinement procedure
| Resolution | 28.000 - 1.500 |
| R-factor | 0.17547 |
| Rwork | 0.171 |
| R-free | 0.21665 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.686 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.000 | 1.600 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 54800 | |
| <I/σ(I)> | 13 | 4.5 |
| Completeness [%] | 95.6 | 88.4 |
| Redundancy | 4.1 | 3.45 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 60-65% MPD + 0.1 M Sodium Acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
