4C5R
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 ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-28 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 99.395, 145.477, 99.564 |
| Unit cell angles | 90.00, 99.54, 90.00 |
Refinement procedure
| Resolution | 49.090 - 2.140 |
| R-factor | 0.17394 |
| Rwork | 0.172 |
| R-free | 0.20989 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yii |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.254 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.090 | 2.260 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Rmerge | 0.080 | 0.380 |
| Number of reflections | 151434 | |
| <I/σ(I)> | 9.9 | 3 |
| Completeness [%] | 99.4 | 97.5 |
| Redundancy | 2.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
