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 |