7MLD
PYL10 bound to the ABA pan-antagonist antabactin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2019-07-01 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 59.753, 64.390, 44.567 |
| Unit cell angles | 90.00, 109.10, 90.00 |
Refinement procedure
| Resolution | 42.450 - 1.800 |
| R-factor | 0.1654 |
| Rwork | 0.161 |
| R-free | 0.20560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nwb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.938 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.051 | 0.373 |
| Rmeas | 0.055 | 0.416 |
| Rpim | 0.020 | 0.181 |
| Number of reflections | 14845 | 1429 |
| <I/σ(I)> | 25.3 | 2.6 |
| Completeness [%] | 97.0 | 86.8 |
| Redundancy | 7.1 | |
| CC(1/2) | 1.000 | 0.912 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 200 mM tribasic ammonium citrate and 22% (w/v) PEG 3350 |
