1J0K
Crystal structure of neopullulanase E357Q complex with isopanose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL40B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL40B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-07-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.006, 73.758, 123.246 |
| Unit cell angles | 90.00, 90.15, 90.00 |
Refinement procedure
| Resolution | 10.000 - 3.200 |
| Rwork | 0.174 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.400 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.110 * | 0.221 * |
| Total number of observations | 75444 * | |
| Number of reflections | 20308 * | |
| Completeness [%] | 99.6 * | 100 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 20 * | PEG 8000, sodium chloride, cacodylate , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium cacodylate | 100 (mM) | pH6.5 |
| 2 | 1 | reservoir | PEG8000 | 180 (mg/ml) | |
| 3 | 1 | reservoir | 300 (mM) | ||
| 4 | 1 | drop | sodium phosphate | 5 (mM) | pH6.5 |
| 5 | 1 | drop | 2-mercaptoethanol | 10 (mM) | |
| 6 | 1 | drop | enzyme | 10 (mg/ml) |
