2VNE
The X-ray structure of Norcoclaurine synthase from Thalictrum flavum
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-28 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 86.312, 86.312, 118.361 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 74.740 - 2.720 |
| R-factor | 0.24167 |
| Rwork | 0.239 |
| R-free | 0.28482 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.333 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.080 | 0.500 |
| Number of reflections | 13618 | |
| <I/σ(I)> | 14 | 2 |
| Completeness [%] | 96.0 | 94.1 |
| Redundancy | 4.6 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | AMMONIUM SULPHATE 0.8-1.3 M, SODIUM CHLORIDE 0.1-0.3 M, ACETATE BUFFER 0.1 M AT PH=4.5 . |
