1KZJ
Crystal Structure of EcTS W80G/dUMP/CB3717 Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-11-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 95.545, 84.574, 111.522 |
| Unit cell angles | 90.00, 111.37, 90.00 |
Refinement procedure
| Resolution | 25.350 - 2.600 |
| Rwork | 0.215 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2KCE with ligands and water removed. |
| RMSD bond length | 0.008 |
| RMSD bond angle | 24.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.350 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.124 * | 0.410 * |
| Total number of observations | 444846 * | |
| Number of reflections | 51013 | |
| Completeness [%] | 98.1 | 92.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M Tris, 22-26% PEG 4000, 0.2 M sodium acetate, 10 mM DTT, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3-5 (mg/ml) | |
| 2 | 1 | drop | dUMP | 2 (mM) | |
| 3 | 1 | drop | CB3717 | 1 (mM) | |
| 4 | 1 | drop | dithiothreitol | 5 (mM) | |
| 5 | 1 | reservoir | Tris | 0.1 (M) | pH8.5 |
| 6 | 1 | reservoir | PEG4000 | 22-26 (%(w/v)) | |
| 7 | 1 | reservoir | sodium acetate | 0.2 (M) | |
| 8 | 1 | reservoir | dithiothreitol | 10 (mM) |
