2W2B
Crystal Structure of single point mutant Tyr20Phe p-coumaric Acid Decarboxylase from Lactobacillus plantarum: structural insights into the active site and decarboxylation catalytic mechanism
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-05 |
| Detector | ADSC CCD |
| Spacegroup name | P 43 |
| Unit cell lengths | 43.384, 43.384, 232.858 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.220 - 1.400 |
| R-factor | 0.2 |
| Rwork | 0.199 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w2a |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.072 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.220 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.090 | 0.390 |
| Number of reflections | 76941 | |
| <I/σ(I)> | 15.6 | 1.6 |
| Completeness [%] | 91.5 | 91.5 |
| Redundancy | 6.7 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
