3HG3
Human alpha-galactosidase catalytic mechanism 2. Substrate bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0085 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.548, 106.106, 181.721 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.710 - 1.900 |
| R-factor | 0.167 |
| Rwork | 0.165 |
| R-free | 0.19700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | human alpha-galactosidase |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.058 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.088 | 0.755 |
| Number of reflections | 90308 | |
| <I/σ(I)> | 30.167 | 3.1 |
| Completeness [%] | 98.6 | 88.4 |
| Redundancy | 13.8 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG8000, Magnesium acetate, Sodium Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
