5X7H
Crystal Structure of Paenibacillus sp. 598K cycloisomaltooligosaccharide glucanotransferase complexed with cycloisomaltoheptaose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2015-11-19 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 112.844, 112.844, 122.275 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 97.730 - 2.600 |
| R-factor | 0.15781 |
| Rwork | 0.155 |
| R-free | 0.21456 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5x7g |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.638 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.109 | 0.922 |
| Rpim | 0.400 | 0.214 |
| Number of reflections | 28297 | 2787 |
| <I/σ(I)> | 10.9 | 3.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 20.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 25% PEG3350, 12% Tacsimate |
