4CCD
STRUCTURE OF MOUSE GALACTOCEREBROSIDASE WITH D-GALACTAL: ENZYME- INTERMEDIATE 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 | 249.505, 249.505, 77.712 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.457 - 1.970 |
R-factor | 0.1715 |
Rwork | 0.170 |
R-free | 0.19830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ZR5 WITH SOLVENT REMOVED |
RMSD bond length | 0.007 |
RMSD bond angle | 1.090 |
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] | 47.460 | 2.020 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.140 | 1.040 |
Number of reflections | 64822 | |
<I/σ(I)> | 10.6 | 2.2 |
Completeness [%] | 99.8 | 100 |
Redundancy | 9.7 | 9.2 |
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 |