2XWE
X-RAY STRUCTURE OF ACID-BETA-GLUCOSIDASE WITH 5N,6S-(N'-(N-OCTYL)IMINO)-6-THIONOJIRIMYCIN IN THE ACTIVE SITE
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 | 2009-12-10 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.142, 96.693, 82.970 |
| Unit cell angles | 90.00, 102.84, 90.00 |
Refinement procedure
| Resolution | 19.820 - 2.310 |
| R-factor | 0.15313 |
| Rwork | 0.150 |
| R-free | 0.21337 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j25 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.861 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.800 | 2.370 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.150 | 0.450 |
| Number of reflections | 42172 | |
| <I/σ(I)> | 33.6 | 9.6 |
| Completeness [%] | 96.5 | 86.4 |
| Redundancy | 7.2 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.2N (NH4)2SO4, 0.1M TRIS PH 6.5, 25% W/V PEG3350 |
