2QQE
Thymidine Kinase from Thermotoga Maritima in complex with Thymidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 111.590, 52.820, 59.310 |
| Unit cell angles | 90.00, 107.90, 90.00 |
Refinement procedure
| Resolution | 12.000 - 1.900 |
| R-factor | 0.24076 |
| Rwork | 0.236 |
| R-free | 0.28571 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.627 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 12.000 | 2.070 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 23671 | |
| <I/σ(I)> | 13 | |
| Completeness [%] | 98.5 | 95.5 |
| Redundancy | 3.6 | 3.5 |
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 |
