7MLC
PYL10 bound to the ABA pan-antagonist 4a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2019-05-23 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 59.545, 64.394, 44.597 |
| Unit cell angles | 90.00, 108.80, 90.00 |
Refinement procedure
| Resolution | 42.410 - 1.770 |
| R-factor | 0.1634 |
| Rwork | 0.159 |
| R-free | 0.20370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nwb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.872 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.046 | 0.383 |
| Rmeas | 0.049 | 0.423 |
| Rpim | 0.019 | 0.175 |
| Number of reflections | 15495 | 1467 |
| <I/σ(I)> | 22.7 | 5.4 |
| Completeness [%] | 97.0 | 84.8 |
| Redundancy | 6.8 | 2.8 |
| CC(1/2) | 0.999 | 0.916 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | 200 mM tribasic ammonium citrate and 20% (w/v) PEG 3350 |
