2E8Z
Crystal structure of pullulanase type I from Bacillus subtilis str. 168 complexed with alpha-cyclodextrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-16 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.327, 127.780, 189.274 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.970 - 2.200 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fgz |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.092 | 0.424 |
| Number of reflections | 87392 | |
| <I/σ(I)> | 5.9 | |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 4.7 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.2 | 293 | 10% PEG 4000, 0.1M sodium acetate buffer, 0.2M magnesium acetate, 20mM alpha-cyclodextrin, pH 5.2, VAPOR DIFFUSION, temperature 293K |
