4C5S
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 | 2011-04-03 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 99.751, 146.185, 100.395 |
Unit cell angles | 90.00, 99.31, 90.00 |
Refinement procedure
Resolution | 99.070 - 1.850 |
R-factor | 0.1797 |
Rwork | 0.178 |
R-free | 0.20528 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yii |
RMSD bond length | 0.009 |
RMSD bond angle | 1.297 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.730 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.070 | 0.450 |
Number of reflections | 241051 | |
<I/σ(I)> | 11.3 | 2.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 2.9 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |