9C3X
Crystal structure of biphenyl synthase from Malus domestica complexed with triketide-CoA mimetic
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00004 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.290, 113.250, 63.020 |
| Unit cell angles | 90.00, 93.35, 90.00 |
Refinement procedure
| Resolution | 55.200 - 1.450 |
| R-factor | 0.1435 |
| Rwork | 0.142 |
| R-free | 0.16380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.078 |
| Data reduction software | iMOSFLM (7.4.0) |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.200 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.138 | 1.071 |
| Number of reflections | 134619 | 6524 |
| <I/σ(I)> | 9.1 | 1.5 |
| Completeness [%] | 98.6 | 97.1 |
| Redundancy | 6.6 | 5.7 |
| CC(1/2) | 0.996 | 0.573 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 14-18% PEG8000, 0.3 M ammonium acetate, 0.1 M sodium HEPES |
