2W2F
CRYSTAL STRUCTURE OF SINGLE POINT MUTANT ARG48GLN OF 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 BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-29 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.248, 94.924, 106.722 |
| Unit cell angles | 90.00, 100.51, 90.00 |
Refinement procedure
| Resolution | 35.760 - 1.730 |
| R-factor | 0.228 |
| Rwork | 0.226 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w2a |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.227 |
| 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] | 52.400 | 1.820 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.070 | 0.420 |
| Number of reflections | 55853 | |
| <I/σ(I)> | 13.2 | 1.9 |
| Completeness [%] | 69.8 | 69.8 |
| Redundancy | 2.7 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
