2PBR
Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
Experimental 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 | IMAGE PLATE |
| Collection date | 2006-06-30 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.765, 50.478, 52.823 |
| Unit cell angles | 95.19, 90.81, 111.68 |
Refinement procedure
| Resolution | 32.480 - 1.960 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDN ENTRY 2CCJ |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.042 | 0.177 |
| Number of reflections | 27384 | |
| Completeness [%] | 93.9 | 76.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 293 | 0.1 M ADA, 0.05 M Lithium Sulfate, 12% PEG 4000, 2% iso-propanol, 3% D(+)-sucrose as additive, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
