4L39
Crystal structure of GH3.12 from Arabidopsis thaliana in complex with AMPCPP and salicylate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-05-04 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.873 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.360, 114.088, 157.976 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.004 - 2.810 |
R-factor | 0.2014 |
Rwork | 0.198 |
R-free | 0.26660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4epm |
RMSD bond length | 0.017 |
RMSD bond angle | 1.547 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 92.490 | 3.000 |
High resolution limit [Å] | 2.810 | 2.810 |
Rmerge | 0.260 | 0.700 |
Number of reflections | 28172 | |
<I/σ(I)> | 8 | 2.73 |
Completeness [%] | 99.7 | 99.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 288 | 20% PEG3350, 0.25 M ammonium acetate, 0.1 M sodium acetate, 5 mM TCEP, 5 mM salicylate, 5 mM AMPCPP, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |