4BAA
Redesign of a Phenylalanine Aminomutase into a beta-Phenylalanine Ammonia Lyase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Collection date | 2011-08-28 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 99.295, 145.837, 99.413 |
| Unit cell angles | 90.00, 99.96, 90.00 |
Refinement procedure
| Resolution | 48.900 - 2.500 |
| R-factor | 0.21072 |
| Rwork | 0.209 |
| R-free | 0.24637 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yii |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.934 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.900 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.120 | 0.380 |
| Number of reflections | 94431 | |
| <I/σ(I)> | 6.2 | 2.4 |
| Completeness [%] | 98.1 | 97.6 |
| Redundancy | 2.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 % TACSISMATE, 12 % W/V PEG 3350, 2 MM DTT |
