2X09
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 | ROTATING ANODE |
| Temperature [K] | 291 |
| Collection date | 2009-05-27 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.750, 121.950, 92.050 |
| Unit cell angles | 90.00, 90.65, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.17934 |
| Rwork | 0.176 |
| R-free | 0.24032 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vzs |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.352 |
| 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] | 20.000 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.140 | 0.320 |
| Number of reflections | 72891 | |
| <I/σ(I)> | 5.5 | 3.3 |
| Completeness [%] | 97.5 | 94.9 |
| Redundancy | 2.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | pH 7.5 |
