9KNL
Crystal structure of triethylene glycol-bound full-length PHA synthase (PhaC) from Aeromonas caviae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.713, 95.530, 141.174 |
| Unit cell angles | 90.00, 90.70, 90.00 |
Refinement procedure
| Resolution | 47.770 - 3.200 |
| R-factor | 0.2223 |
| Rwork | 0.221 |
| R-free | 0.24750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.557 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.390 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.172 | 0.677 |
| Rmeas | 0.192 | 0.754 |
| Number of reflections | 34523 | 5524 |
| <I/σ(I)> | 9.48 | 2.78 |
| Completeness [%] | 99.6 | 99.3 |
| Redundancy | 5.1 | 5.09 |
| CC(1/2) | 0.993 | 0.860 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277.15 | sodium chloride, glycerol, PEG6000, octyl beta-D-glucopyranoside, triethylene glycol |
