4LA7
X-ray crystal structure of the PYL2-quinabactin-Hab1 ternary complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2011-08-21 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.637, 66.754, 146.021 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.266 - 1.980 |
R-factor | 0.2006 |
Rwork | 0.199 |
R-free | 0.22530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kb3 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.906 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.010 |
High resolution limit [Å] | 1.980 | 5.370 | 1.980 |
Rmerge | 0.088 | 0.032 | 0.566 |
Number of reflections | 41105 | ||
<I/σ(I)> | 6.6 | ||
Completeness [%] | 97.4 | 99.5 | 86 |
Redundancy | 7.1 | 6.7 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 100 mM Tris, 160 mM Magnesium chloride, 20% (v/v) PEG-8000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |