5DGR
Crystal structure of GH9 exo-beta-D-glucosaminidase PBPRA0520, glucosamine complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.294, 102.590, 89.804 |
| Unit cell angles | 90.00, 97.22, 90.00 |
Refinement procedure
| Resolution | 28.900 - 1.900 |
| R-factor | 0.16381 |
| Rwork | 0.162 |
| R-free | 0.20379 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h7l |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.020 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.079 | 0.286 |
| Number of reflections | 88029 | |
| <I/σ(I)> | 19 | 3.2 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 10mM glucosamine, 10 % PEG 6000, 0.1M HEPES-NaOH (pH 7.5), 5% MPD |
