2VQ5
X-ray structure of Norcoclaurine synthase from Thalictrum flavum in complex with dopamine and hydroxybenzaldehyde
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 86.474, 86.474, 117.977 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.090 |
| R-factor | 0.22312 |
| Rwork | 0.221 |
| R-free | 0.26605 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vne |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.288 |
| 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] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.080 | 0.510 |
| Number of reflections | 30118 | |
| <I/σ(I)> | 13 | 2 |
| Completeness [%] | 97.8 | 98.3 |
| Redundancy | 3.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | AMMONIUM SULFATE 1.4-1.8 M, NACL 0.2 M, ACETATE BUFFER PH 4.0-4.5 |
