1UB0
Crystal Structure Analysis of Phosphomethylpyrimidine Kinase (ThiD) from Thermus Thermophilus Hb8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-06-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 105.145, 105.145, 105.469 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 2.050 |
| Rwork | 0.207 |
| R-free | 0.23160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jxi |
| RMSD bond length | 1.200 |
| RMSD bond angle | 0.005 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (1.1) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.140 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.055 | 0.482 |
| Number of reflections | 476454 | |
| Completeness [%] | 100.0 | 91.9 |
| Redundancy | 21.52 | 3.03 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5.3 | 295 | Ammonium sulfate 1.58M, citrate 0.1M, dioxane 10v/v (%), pH 5.3, MICROBATCH, temperature 295K |
