2VAQ
STRUCTURE OF STRICTOSIDINE SYNTHASE IN COMPLEX WITH INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-08 |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 |
| Unit cell lengths | 149.993, 149.993, 121.688 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 3.010 |
| R-factor | 0.189 |
| Rwork | 0.186 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fp8 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.921 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.050 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.100 | 0.520 |
| Number of reflections | 20319 | |
| <I/σ(I)> | 18.1 | 3.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.9 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.1 MM INHIBITOR, 0.8 M POTASSIUM SODIUM TARTRATE TETRAHYDRATE AND 0.1 M HEPES, PH 7.3 |
