3IGU
Crystal structure of human alpha-N-acetylgalactosaminidase, covalent intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-09 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9796 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 151.612, 113.649, 68.415 |
| Unit cell angles | 90.00, 96.14, 90.00 |
Refinement procedure
| Resolution | 45.980 - 2.150 |
| R-factor | 0.166 |
| Rwork | 0.164 |
| R-free | 0.19900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3h53 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.095 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.078 | 0.634 |
| Number of reflections | 62455 | |
| <I/σ(I)> | 17.6 | 1.8 |
| Completeness [%] | 99.7 | 97.4 |
| Redundancy | 4.2 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.1 | 293 | PEG3350, citric acid, Bis-Tris propane, pH 4.1, vapor diffusion, hanging drop, temperature 293K |
