9SW9
Crystal Structure of Phenylalanine Ammonia Lyase (PAL) from Petroselinum crispum bound to p-Nitrocinnamic acid
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 | 2021-09-16 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 119.499, 160.524, 141.561 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.780 - 1.950 |
| R-factor | 0.1526 |
| Rwork | 0.151 |
| R-free | 0.17740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.620 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.780 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmeas | 0.150 | 1.182 |
| Number of reflections | 99076 | 4854 |
| <I/σ(I)> | 11.3 | 1.1 |
| Completeness [%] | 100.0 | 99 |
| Redundancy | 13.9 | 13 |
| CC(1/2) | 1.000 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M Ammonium acetate 22% w/v Polyethylene glycol 3,350 |
