5X7R
Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with isomaltohexaose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2013-02-16 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 184.333, 271.260, 133.928 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 152.460 - 1.950 |
| R-factor | 0.17981 |
| Rwork | 0.178 |
| R-free | 0.20779 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5x7o |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.331 |
| 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] | 200.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.078 | 0.567 |
| Number of reflections | 245688 | 24344 |
| <I/σ(I)> | 33.2 | 6 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 14.5 | 13.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 293 | 1.5 M magnesium sulfate, 0.1 M MES buffer |
