6NWB
PYL10 bound to the selective agonist hexabactin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-03-31 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 65.910, 65.910, 65.030 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.898 - 2.003 |
| R-factor | 0.1788 |
| Rwork | 0.174 |
| R-free | 0.22420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rt0 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.968 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.078 | 0.257 |
| Rmeas | 0.080 | 0.265 |
| Rpim | 0.060 | 0.018 |
| Number of reflections | 10999 | 435 |
| <I/σ(I)> | 37.1 | 16.6 |
| Completeness [%] | 96.3 | 78.8 |
| Redundancy | 20.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 292 | Well solution was composed of 0.1 M MMT buffer pH 6.0 plus 25% w/v PEG 1500. Crystals were flash frozen in well solution plus 15% PEG 400 |
