4AQ0
Structure of the Gh92 Family Glycosyl Hydrolase Ccman5 in complex with deoxymannojirimycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-02 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 81.620, 91.790, 224.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.500 - 2.090 |
| R-factor | 0.17194 |
| Rwork | 0.170 |
| R-free | 0.20349 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xsg |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.096 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.500 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.130 | 0.580 |
| Number of reflections | 95933 | |
| <I/σ(I)> | 12.9 | 2.6 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 7.8 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2 M NA FLUORIDE, 0.1 M BIS TRIS PROPANE PH 7.5 AND 20% PEG 3350 |
