4LGB
ABA-mimicking ligand N-(1-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-(4-METHYLPHENYL)METHANESULFONAMIDE 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 | 60.957, 66.173, 143.841 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 3.150 |
R-factor | 0.27219 |
Rwork | 0.270 |
R-free | 0.29387 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kb3 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.013 |
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 | 3.260 |
High resolution limit [Å] | 3.150 | 6.760 | 3.150 |
Rmerge | 0.168 | 0.051 | 0.558 |
Number of reflections | 8417 | ||
<I/σ(I)> | 4.9 | ||
Completeness [%] | 79.0 | 76 | 58.2 |
Redundancy | 4.4 | 4.5 | 3.6 |
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 |