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 |