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 |