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 |