6OZV
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with AMP
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 | 2016-07-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 154.670, 90.859, 98.184 |
| Unit cell angles | 90.00, 106.72, 90.00 |
Refinement procedure
| Resolution | 47.017 - 2.180 |
| R-factor | 0.191 |
| Rwork | 0.190 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6oyf |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.512 |
| 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] | 47.500 | 2.220 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.060 | 0.618 |
| Rmeas | 0.070 | 0.731 |
| Rpim | 0.035 | 0.384 |
| Number of reflections | 65631 | 2757 |
| <I/σ(I)> | 19.2 | 1.7 |
| Completeness [%] | 96.8 | 82 |
| Redundancy | 3.7 | 3.3 |
| CC(1/2) | 0.688 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.1 M HEPES/soldium chloride, 1.26 M ammonium sulfate |
