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 . |