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 |