6E00
Structure of a N-Me-p-iodo-D-Phe1,N-Me-D-Gln4,Lys10-teixobactin analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 2.06633 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.478, 69.370, 115.422 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.210 - 2.200 |
| R-factor | 0.21293 |
| Rwork | 0.211 |
| R-free | 0.24577 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.913 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.210 | 2.076 |
| High resolution limit [Å] | 2.011 | 2.011 |
| Number of reflections | 18708 | |
| <I/σ(I)> | 8.8 | |
| Completeness [%] | 85.3 | 13.89 |
| Redundancy | 21.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 15% PEG 3350, 0.19M sodium sulphate |
