4C5U
Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-18 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 99.479, 147.274, 99.765 |
| Unit cell angles | 90.00, 99.80, 90.00 |
Refinement procedure
| Resolution | 48.380 - 2.190 |
| R-factor | 0.19117 |
| Rwork | 0.189 |
| R-free | 0.22367 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yii |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.371 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.380 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.050 | 0.400 |
| Number of reflections | 136388 | |
| <I/σ(I)> | 11.3 | 2.6 |
| Completeness [%] | 95.4 | 92.3 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
