2XWD
X-RAY STRUCTURE OF ACID-BETA-GLUCOSIDASE WITH 5N,6O-(N'-(N-OCTYL)IMINO)NOJIRIMYCIN IN THE ACTIVE SITE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.036, 96.617, 83.164 |
| Unit cell angles | 90.00, 103.69, 90.00 |
Refinement procedure
| Resolution | 29.920 - 2.660 |
| R-factor | 0.15348 |
| Rwork | 0.150 |
| R-free | 0.21893 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j25 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.581 |
| 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] | 29.900 | 2.720 |
| High resolution limit [Å] | 2.660 | 2.660 |
| Rmerge | 0.180 | 0.550 |
| Number of reflections | 28378 | |
| <I/σ(I)> | 12.2 | 3 |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 7.7 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.2M (NH4)2SO4, 0.1 M TRIS PH 6.5, 25% W/V PEG3350 |
