8JPU
Crystal Structure of the acyltransferase domain from the fifth module of the tylosin polyketide synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.949, 138.376, 209.855 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.460 - 2.500 |
| R-factor | 0.20526 |
| Rwork | 0.202 |
| R-free | 0.26301 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.834 |
| Data reduction software | HKL-2000 (v718) |
| Data scaling software | HKL-2000 (v718) |
| Phasing software | PHASER (2.7.0) |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
| Rmerge | 0.109 | 0.042 | 0.745 |
| Rmeas | 0.118 | 0.044 | 0.817 |
| Rpim | 0.043 | 0.014 | 0.313 |
| Total number of observations | 324871 | ||
| Number of reflections | 52874 | 2628 | 2476 |
| <I/σ(I)> | 5.5 | ||
| Completeness [%] | 78.2 | 71.6 | 74.2 |
| Redundancy | 6.1 | 7.8 | 5.5 |
| CC(1/2) | 0.996 | 0.998 | 0.727 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M lithium sulfate, 0.1 M Tris pH 7.5, 29% PEG3350,VAPOR DIFFUSION, SITTING DROP, temperature 293K |
