1HL9
CRYSTAL STRUCTURE OF THERMOTOGA MARITIMA ALPHA-FUCOSIDASE IN COMPLEX WITH A MECHANISM BASED INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-11 |
| Detector | ADSC CCD |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 172.157, 172.157, 167.331 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.250 |
| R-factor | 0.184 |
| Rwork | 0.181 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hl8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.198 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.900 | 2.310 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.065 | 0.397 |
| Number of reflections | 37238 | |
| <I/σ(I)> | 7.1 | 1.8 |
| Completeness [%] | 89.4 | 89.4 |
| Redundancy | 4.2 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 18% PEG600, 5% JEFFAMINE M600, 100 MM TRIS-HCL PH 8.0, PROTEIN CONCENTRATION 5 MG/ML THE INHIBITOR WAS INTRODUCED BY SHORT SOAKING OF A NATIVE |
