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 |