7AG5
Structure of the Laspartomycin C double mutant G4D D-allo-Thr9D-Dap in complex with Geranyl phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-04 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 40.428, 40.428, 31.033 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.010 - 1.040 |
| R-factor | 0.1215 |
| Rwork | 0.120 |
| R-free | 0.14320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5o0z |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.721 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.012 | 1.116 |
| High resolution limit [Å] | 1.031 | 1.031 |
| Rmerge | 0.185 | 1.584 |
| Rmeas | 0.193 | 1.664 |
| Rpim | 0.054 | 0.504 |
| Number of reflections | 6321 | 421 |
| <I/σ(I)> | 8 | 1.5 |
| Completeness [%] | 92.2 | 53.1 |
| Redundancy | 11.7 | 10.6 |
| CC(1/2) | 0.997 | 0.726 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.2 M sodium formate, 40% MPD |
