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 |