6HQF
Structure of Phenylalanine ammonia-lyase from Petroselinum crispum in complex with (R)-APEP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-02 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 118.878, 160.951, 141.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.700 - 1.760 |
| R-factor | 0.1685 |
| Rwork | 0.168 |
| R-free | 0.20460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f6t |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.825 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.700 | 1.770 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmeas | 0.161 | |
| Number of reflections | 141190 | 9135 |
| <I/σ(I)> | 8.52 | 0.6 |
| Completeness [%] | 98.7 | 87 |
| Redundancy | 7 | 6.5 |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | PEG 3350 20-26 m/V% NaFormiate 100-300 mM TRIS 50 mM |
