5X7J
Crystal structure of thymidylate kinase from thermus thermophilus HB8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU ULTRAX 18 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-07-14 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.470, 80.210, 122.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.880 - 1.840 |
| R-factor | 0.17831 |
| Rwork | 0.176 |
| R-free | 0.21996 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pbr |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.880 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.880 | 1.870 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.095 | |
| Number of reflections | 34412 | 1060 |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 96.8 | |
| Redundancy | 8.6 | |
| CC(1/2) | 0.997 | 0.826 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 295 | 0.2M CaCl2.2H2O, 20% w/v, PEG 3350 |
