4DO6
Pharmacological chaperones for human alpha-N-acetylgalactosaminidase
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 |
| Collection date | 2010-06-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.100 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 153.309, 114.304, 68.574 |
| Unit cell angles | 90.00, 96.43, 90.00 |
Refinement procedure
| Resolution | 43.790 - 1.600 |
| R-factor | 0.1545 |
| Rwork | 0.154 |
| R-free | 0.17040 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3h53 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.244 |
| 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 | 1.630 |
| High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
| Rmerge | 0.060 | 0.033 | 0.653 |
| Number of reflections | 145750 | ||
| <I/σ(I)> | 12.9 | ||
| Completeness [%] | 94.7 | 97.6 | 63.8 |
| Redundancy | 6 | 5.9 | 4.2 |
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 |
