1KZI
Crystal Structure of EcTS/dUMP/THF Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-08-16 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 |
| Unit cell lengths | 125.296, 125.296, 66.771 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.460 - 1.750 |
| Rwork | 0.197 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 2KCE with ligands and water removed. |
| RMSD bond length | 0.007 |
| RMSD bond angle | 24.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.460 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.043 * | 0.454 * |
| Total number of observations | 492649 * | |
| Number of reflections | 59657 | |
| Completeness [%] | 98.6 | 88.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 298 | 100 mM TAPS, 2.6 M ammonium sulfate, 10 mM DTT, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | EcTS | 6.1 (mg/ml) | |
| 2 | 1 | drop | THF | 2 (mM) | |
| 3 | 1 | drop | dUMP | 1 (mM) | |
| 4 | 1 | drop | dithiothreitol | 5 (mM) | |
| 5 | 1 | drop | EDTA | 0.9 (mM) | |
| 6 | 1 | reservoir | TAPS buffer | 100 (mM) | pH8.6 |
| 7 | 1 | reservoir | ammonium sulfate | 2.6 (M) | |
| 8 | 1 | reservoir | dithiothreitol | 10 (mM) |
