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 |