3S5Y
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 | P 21 21 2 |
Unit cell lengths | 136.813, 182.635, 47.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.440 - 2.105 |
R-factor | 0.1954 |
Rwork | 0.194 |
R-free | 0.22990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hg5 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.126 |
Data reduction software | HKL-2000 |
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 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.095 | 0.035 | 0.816 |
Number of reflections | 66778 | ||
<I/σ(I)> | 8.3 | ||
Completeness [%] | 95.0 | 99.5 | 92.4 |
Redundancy | 6.2 | 6.3 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 293 | 8-15% PEG 8000, 0.1 M Sodium Cacodylate, 0.02 M Magnesium Chloride, pH 5.1, vapor diffusion, hanging drop, temperature 293K, VAPOR DIFFUSION, HANGING DROP |