4C6G
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 ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-28 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 98.960, 146.572, 99.334 |
Unit cell angles | 90.00, 100.02, 90.00 |
Refinement procedure
Resolution | 48.730 - 2.100 |
R-factor | 0.20286 |
Rwork | 0.201 |
R-free | 0.24101 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yii |
RMSD bond length | 0.009 |
RMSD bond angle | 1.280 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.910 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.070 | 0.400 |
Number of reflections | 161887 | |
<I/σ(I)> | 11.2 | 2.9 |
Completeness [%] | 99.8 | 99.5 |
Redundancy | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |