6P3I
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with Mg
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 | 2016-06-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97921 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 154.491, 90.658, 98.804 |
| Unit cell angles | 90.00, 106.00, 90.00 |
Refinement procedure
| Resolution | 45.330 - 2.150 |
| R-factor | 0.2025 |
| Rwork | 0.201 |
| R-free | 0.23070 |
| Structure solution method | SAD |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.477 |
| 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 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.082 | 0.785 |
| Rmeas | 0.093 | 0.919 |
| Rpim | 0.044 | 0.465 |
| Number of reflections | 70542 | 3276 |
| <I/σ(I)> | 28.9 | 1.3 |
| Completeness [%] | 98.6 | 92.3 |
| Redundancy | 4.3 | 3.3 |
| CC(1/2) | 0.707 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 296 | 1.6 M magnesium sulfate, 0.1 M MES/NaCl |
