3NJ0
X-ray crystal structure of the PYL2-pyrabactin A 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] | 100 |
Detector technology | CCD |
Collection date | 2009-12-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 62.542, 105.151, 187.231 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.660 - 1.890 |
R-factor | 0.179 |
Rwork | 0.178 |
R-free | 0.20470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.178 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.2.0) |
Refinement software | PHENIX (1.5_2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
High resolution limit [Å] | 1.890 | 5.130 | 1.890 |
Rmerge | 0.073 | 0.039 | 0.468 |
Number of reflections | 48387 | ||
<I/σ(I)> | 10.9 | ||
Completeness [%] | 97.1 | 99.1 | 71.4 |
Redundancy | 7.2 | 7.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | Protein solution 2 ul- 20 mM Tris, pH 7.5, Precipitant solution 2 ul- 180 mM magnesium acetate, 16% (w/v) PEG_8000, 100 mM sodium cacodylate, pH 5.5, Cryoprotectant- 20% (v/v) glycerol, vapor diffusion, hanging drop, temperature 293K |