3H7K
Crystal Structure of Arabidopsis thaliana Agmatine Deiminase Complexed with a Covalently Bound Reaction Intermediate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-06 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97942 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 123.720, 69.560, 50.986 |
Unit cell angles | 90.00, 98.52, 90.00 |
Refinement procedure
Resolution | 40.200 - 1.840 |
R-factor | 0.149 |
Rwork | 0.147 |
R-free | 0.18500 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.361 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | REFMAC (refmac_5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.870 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.094 | 0.305 |
Number of reflections | 37121 | |
<I/σ(I)> | 25.028 | 5.647 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 7.3 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Protein solution 100 nl- 10 mg/ml agmatine deiminase, 50 mM NaCl, 0.3 mM TCEP, 10 mM agmatine sulfate, 5 mM HEPES, pH 7.0; Precipitant solution 100 nl- 32% Polyethylene glycol 1500, 200 mM KBr, 100 mM triethanolamine, pH 7.5; Cryoprotectant- MiTeGen LV Cryo Oil, VAPOR DIFFUSION, HANGING DROP, temperature 293K |