2X05
Inhibition of the exo-beta-D-glucosaminidase CsxA by a glucosamine- configured castanospermine and an amino-australine analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-3 |
| Synchrotron site | SSRL |
| Beamline | BL11-3 |
| Temperature [K] | 291 |
| Detector technology | CCD |
| Collection date | 2009-04-20 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.120, 121.800, 91.560 |
| Unit cell angles | 90.00, 90.51, 90.00 |
Refinement procedure
| Resolution | 43.790 - 2.300 |
| R-factor | 0.18723 |
| Rwork | 0.184 |
| R-free | 0.24816 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vzs |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.357 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 (SCALE) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.150 | 0.400 |
| Number of reflections | 83030 | |
| <I/σ(I)> | 4.9 | 2.5 |
| Completeness [%] | 99.1 | 99.8 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | pH 7.5 |
