6P4U
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with Mg and 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 | 2016-07-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 154.232, 90.828, 98.463 |
Unit cell angles | 90.00, 106.10, 90.00 |
Refinement procedure
Resolution | 46.080 - 2.100 |
R-factor | 0.2096 |
Rwork | 0.208 |
R-free | 0.23730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6oyf |
RMSD bond length | 0.002 |
RMSD bond angle | 0.484 |
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] | 46.100 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.053 | 0.652 |
Rmeas | 0.062 | 0.773 |
Rpim | 0.408 | |
Number of reflections | 73508 | 3126 |
<I/σ(I)> | 22.6 | 1.12 |
Completeness [%] | 96.3 | 82.2 |
Redundancy | 3.6 | 3.2 |
CC(1/2) | 0.717 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 1.6 M Magnesium sulfate, 0.1 M MES:NaOH |