2FHC
Crystal Structure Analysis of Klebsiella pneumoniae pullulanase complexed with maltotriose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL24XU |
| Synchrotron site | SPring-8 |
| Beamline | BL24XU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-10-29 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 0.836 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 150.539, 60.655, 135.393 |
| Unit cell angles | 90.00, 113.59, 90.00 |
Refinement procedure
| Resolution | 14.990 - 1.850 |
| R-factor | 0.178 |
| Rwork | 0.178 |
| R-free | 0.21400 |
| Structure solution method | MIR |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Phasing software | PHASES |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.076 | 0.173 |
| Number of reflections | 94287 | |
| <I/σ(I)> | 14.9 | 4.4 |
| Completeness [%] | 89.9 | 76.7 |
| Redundancy | 2.67 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 15-25% polyethyleneglycol 6000 in 0.2M magnesium acetate, 0.2M sodium acetate buffer, The crystal was soaked with 300mM maltotriose for 30min at 20 deg.C, followed by flash-freezing in a nitrogen gas stream at 100K without any cryo-protectant. , pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
