4LG5
ABA-mimicking ligand QUINABACTIN in complex with ABA receptor PYL2 and PP2C HAB1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.834, 65.904, 146.231 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.880 |
R-factor | 0.26181 |
Rwork | 0.258 |
R-free | 0.29549 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.248 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASES |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.770 |
High resolution limit [Å] | 2.670 | 5.740 | 2.670 |
Rmerge | 0.115 | 0.062 | 0.730 |
Number of reflections | 13803 | ||
<I/σ(I)> | 8.3 | ||
Completeness [%] | 79.2 | 68.7 | 84.8 |
Redundancy | 4.1 | 4 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | PEG3350, ammonium sulfate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |