1K1W
Crystal structure of 4-alpha-glucanotransferase from thermococcus litoralis
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45PX |
| Synchrotron site | SPring-8 |
| Beamline | BL45PX |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-03-03 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 0.9793, 0.9795, 1.0400 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 124.940, 124.940, 246.960 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 17.880 - 2.800 |
| R-factor | 0.224 |
| Rwork | 0.221 |
| R-free | 0.28900 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.410 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | |
| High resolution limit [Å] | 2.800 * | 2.800 * |
| Rmerge | 0.042 * | 0.186 * |
| Total number of observations | 107608 * | |
| Number of reflections | 27918 | 2760 * |
| Completeness [%] | 98.4 * | 98.9 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 25 * | PEG400, AMMONIUM SULFATE, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 1.9 (M) | |
| 2 | 1 | reservoir | PEG400 | 2 (%(w/v)) | |
| 3 | 1 | reservoir | HEPES-NaOH | 0.1 (M) | pH7.5 |
| 4 | 1 | drop | protein | 10-20 (mg/ml) | |
| 5 | 1 | drop | Tris-HCl | 5 (mM) | pH7.5 |
| 6 | 1 | drop | dithiothreitol | 10 (mM) |
