3ZJ8
Crystal structure of strictosidine glucosidase in complex with inhibitor-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-24 |
| Detector | ADSC CCD |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 159.107, 159.107, 102.995 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.010 |
| R-factor | 0.20343 |
| Rwork | 0.202 |
| R-free | 0.23743 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jf7 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.688 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | Auto-Rickshaw |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.190 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.150 | 0.450 |
| Number of reflections | 26468 | |
| <I/σ(I)> | 20.21 | 6.75 |
| Completeness [%] | 98.8 | 95.5 |
| Redundancy | 14.1 | 13.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 10% PEG4000, 0.3 M AMSO4, 0.1M NAOAC, PH 5.0 |
