4DO5
Pharmacological chaperones for human alpha-N-acetylgalactosaminidase
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 | 2008-10-12 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 154.352, 114.513, 68.553 |
| Unit cell angles | 90.00, 95.64, 90.00 |
Refinement procedure
| Resolution | 31.890 - 1.510 |
| R-factor | 0.1601 |
| Rwork | 0.159 |
| R-free | 0.17790 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3h53 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.361 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
| Rmerge | 0.046 | 0.024 | 0.644 |
| Number of reflections | 178912 | ||
| <I/σ(I)> | 15.3 | ||
| Completeness [%] | 96.1 | 99.9 | 73.2 |
| Redundancy | 4 | 4.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.4 | 293 | 8-16% PEG3350, 70mM citric acid, 30mM Bis-Tris propane, pH 3.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
