7FFH
Diarylpentanoid-producing polyketide synthase (N199L mutant)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-18 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 146.405, 65.196, 108.394 |
| Unit cell angles | 90.00, 128.11, 90.00 |
Refinement procedure
| Resolution | 40.510 - 2.200 |
| R-factor | 0.2155 |
| Rwork | 0.213 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yjy |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.916 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.640 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.043 | 0.360 |
| Number of reflections | 40917 | 3522 |
| <I/σ(I)> | 15.1 | 3.3 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 4.4 | 4.5 |
| CC(1/2) | 0.999 | 0.954 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M Tris-HCl, pH 8.5, 25% PEG 8000, 0.3M KF, 4% butanediol |
