9PZK
Crystal structure of Petunia x hybrida benzaldehyde synthase in complex with NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE 7B2 |
| Synchrotron site | CHESS |
| Beamline | 7B2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-12 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 1 |
| Unit cell lengths | 67.976, 73.744, 134.064 |
| Unit cell angles | 90.64, 103.73, 114.95 |
Refinement procedure
| Resolution | 29.700 - 2.510 |
| R-factor | 0.1669 |
| Rwork | 0.164 |
| R-free | 0.21310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.460 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21_5207: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.570 |
| High resolution limit [Å] | 2.510 | 2.510 |
| Rmerge | 0.178 | 0.830 |
| Number of reflections | 75466 | 3968 |
| <I/σ(I)> | 3.8 | 1.2 |
| Completeness [%] | 97.4 | 86 |
| Redundancy | 3.5 | 3.6 |
| CC(1/2) | 1.000 | 0.600 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.1 M sodium chloride, 0.1 M sodium formate, 0.1 M Bis-Tris propane, pH 8.5, 25 % v/v PEG Smear Medium |
