1S46
Covalent intermediate of the E328Q amylosucrase mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2000-11-24 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.011 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 96.253, 116.630, 60.539 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 2.200 |
| R-factor | 0.184 |
| Rwork | 0.184 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 23.600 * |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.081 * | 0.328 * |
| Total number of observations | 128590 * | |
| Number of reflections | 32544 | |
| <I/σ(I)> | 18 | 6 |
| Completeness [%] | 92.0 | 94.7 |
| Redundancy | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | Sucrose, PEG 6000, SODIUM CHLORIDE, TRIS-HCL, EDTA, HEPES, DTT, Alpha-D-glucopyranosyl fluoride , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4 (mg/ml) | |
| 2 | 1 | drop | 150 (mM) | ||
| 3 | 1 | drop | Tris-HCl | 50 (mM) | pH7.0 |
| 4 | 1 | drop | EDTA | 1 (mM) | |
| 5 | 1 | drop | alpha-dithiothreitol | 1 (mM) | |
| 6 | 1 | reservoir | sucrose | 14 (mM) | |
| 7 | 1 | reservoir | PEG6000 | 30 (%) | |
| 8 | 1 | reservoir | HEPES | 0.1 (M) | pH7.0 |
