9RSB
Crystal Structure of Phenylalanine Ammonia Lyase (PAL) from Petroselinum crispum bound to N-Phenylglycine
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-07 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 120.315, 162.439, 143.525 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.341 - 1.900 |
| R-factor | 0.1634 |
| Rwork | 0.162 |
| R-free | 0.19250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.663 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.341 | 48.360 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmeas | 0.166 | 0.047 | 1.325 |
| Number of reflections | 110331 | 5797 | 5472 |
| <I/σ(I)> | 11 | 46.2 | 1 |
| Completeness [%] | 100.0 | 100 | 99.7 |
| Redundancy | 12.4 | 13.6 | 12.8 |
| CC(1/2) | 1.000 | 1.000 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 278 | 0.2 M Ammonium acetate 20% w/v Polyethylene glycol 3,350 |
