6H2O
APO structure of Phenylalanine ammonia-lyase from Petroselinum crispum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-20 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 119.890, 161.120, 141.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.100 - 1.900 |
| R-factor | 0.1719 |
| Rwork | 0.170 |
| R-free | 0.20580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f6t |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.782 |
| Data reduction software | XDS (20170720) |
| Data scaling software | XDS (20170720) |
| Phasing software | PHENIX (1.13_2998) |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.100 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.144 | |
| Number of reflections | 104777 | |
| <I/σ(I)> | 8.78 | |
| Completeness [%] | 97.5 | |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | PEG 3350 20 m/V%, Potassium formate 0.1 M TRIS 50 mM |
