3GH7
Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 in complex with GalNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Detector technology | CCD |
| Collection date | 2007-07-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 95.667, 102.123, 108.074 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.910 - 1.900 |
| R-factor | 0.14181 |
| Rwork | 0.140 |
| R-free | 0.18004 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 1HP4 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.313 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 41113 | |
| <I/σ(I)> | 12.2 | 3.4 |
| Completeness [%] | 97.9 | 91.5 |
| Redundancy | 4.4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | Na-Acetate, PEG2000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
