6OYF
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 152.965, 90.749, 98.218 |
| Unit cell angles | 90.00, 105.99, 90.00 |
Refinement procedure
| Resolution | 43.153 - 2.100 |
| R-factor | 0.1876 |
| Rwork | 0.186 |
| R-free | 0.21380 |
| Structure solution method | SAD |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.485 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.500 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.060 | 0.766 |
| Rmeas | 0.071 | 0.916 |
| Rpim | 0.038 | 0.495 |
| Number of reflections | 75359 | 3719 |
| <I/σ(I)> | 20.4 | 1.2 |
| Completeness [%] | 98.9 | 98 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.629 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289 | 0.1 M MES/sodium chloride, 1.26 M ammonium sulfate |
