4CCC
STRUCTURE OF MOUSE GALACTOCEREBROSIDASE WITH 4NBDG: ENZYME-SUBSTRATE COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-08-03 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 250.012, 250.012, 77.790 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 56.382 - 2.090 |
| R-factor | 0.1891 |
| Rwork | 0.187 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zr5 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.125 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.380 | 2.150 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.150 | 1.290 |
| Number of reflections | 54656 | |
| <I/σ(I)> | 13.5 | 2.5 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 19 | 14.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 34% PEG 8000, 200 MM SODIUM ACETATE, 100 MM SODIUM CACODYLATE PH 6.8 |
