3S5Z
Pharmacological Chaperoning in Human alpha-Galactosidase
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 | 2007-08-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 89.313, 140.606, 182.486 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.440 - 2.001 |
| R-factor | 0.21119 |
| Rwork | 0.210 |
| R-free | 0.23436 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hg5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.231 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.115 | 0.050 | 0.782 |
| Number of reflections | 77091 | ||
| <I/σ(I)> | 6.5 | ||
| Completeness [%] | 99.4 | 99.7 | 96.1 |
| Redundancy | 13.7 | 13.9 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 293 | PEG 8000, Sodium Cacodylate, Magnesium Chloride, pH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
