2WCG
X-ray structure of acid-beta-glucosidase with N-octyl(cyclic guanidine)-nojirimycin in the active site
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.311, 96.827, 83.234 |
| Unit cell angles | 90.00, 104.34, 90.00 |
Refinement procedure
| Resolution | 19.740 - 2.300 |
| R-factor | 0.138 |
| Rwork | 0.135 |
| R-free | 0.19400 |
| Structure solution method | MAD |
| Starting model (for MR) | 2v3f |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.732 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.280 |
| High resolution limit [Å] | 2.290 | 2.200 |
| Rmerge | 0.140 | 0.520 |
| Number of reflections | 52146 | |
| <I/σ(I)> | 6.8 | 1.41 |
| Completeness [%] | 97.4 | 89.6 |
| Redundancy | 3.3 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.2M (NH4)2SO4, 0.1M TRIS PH 6.5, 25%(W/V) PEG3350 |
