4NXS
Crystal structure of human alpha-galactosidase A in complex with 1-deoxygalactonojirimycin-pFPhT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Detector technology | CCD |
| Collection date | 2013-02-22 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.783, 90.783, 217.382 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.683 - 2.549 |
| R-factor | 0.1898 |
| Rwork | 0.187 |
| R-free | 0.23170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gxn |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.895 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.5) |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
| High resolution limit [Å] | 2.549 | 6.920 | 2.549 |
| Rmerge | 0.105 | 0.059 | 0.471 |
| Number of reflections | 33831 | ||
| <I/σ(I)> | 7.9 | ||
| Completeness [%] | 96.8 | 99.3 | 75.8 |
| Redundancy | 5.3 | 5.2 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 0.1 M acetate pH 4.5, 0.215 M ammonium sulfate, and 24% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
