6NWC
PYL10 bound to the ABA pan-agonist 3CB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2017-11-20 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 67.630, 67.630, 63.776 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.138 - 2.350 |
| R-factor | 0.2039 |
| Rwork | 0.198 |
| R-free | 0.25810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nwb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.825 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.8.0) |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.092 | 1.017 |
| Rmeas | 0.096 | 1.076 |
| Rpim | 0.028 | 0.348 |
| Number of reflections | 7327 | 359 |
| <I/σ(I)> | 32 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.2 | 9.2 |
| CC(1/2) | 0.998 | 0.818 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 292 | 33% Tacsimate |
