2JKP
Structure of a family 97 alpha-glucosidase from Bacteroides thetaiotaomicron in complex with castanospermine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-23 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.566, 111.988, 104.134 |
| Unit cell angles | 90.00, 100.89, 90.00 |
Refinement procedure
| Resolution | 102.060 - 1.990 |
| R-factor | 0.176 |
| Rwork | 0.173 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jka |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.501 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.4.0077) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.350 |
| Number of reflections | 108971 | |
| <I/σ(I)> | 13.3 | 2.2 |
| Completeness [%] | 95.3 | 69.3 |
| Redundancy | 3.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 18-22% POLYETHYLENE GLYCOL 3350 AND 0.02 M SODIUM/POTASSIUM PHOSPHATE |
