1JH7
Semi-reduced Inhibitor-bound Cyclic Nucleotide Phosphodiesterase from Arabidopsis thaliana
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.070 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 101.140, 101.140, 90.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 * - 2.400 |
| R-factor | 0.213 * |
| Rwork | 0.214 |
| R-free | 0.39800 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | semi-reduced CPDase (A. thaliana) [delta 90-115] |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 1.800 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.048 | 0.466 |
| Total number of observations | 87738 * | |
| Number of reflections | 5960 * | |
| <I/σ(I)> | 15 | |
| Completeness [%] | 90.3 | 95.4 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 285 | (NH4)2SO4, NaOAc, DTT, 2',3'-cyclic uridine vanadate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 1.2-2.0 (M) | |
| 2 | 1 | reservoir | 0.1 (M) | pH5.0 | |
| 3 | 1 | drop | DTT | 12.5 (mM) | |
| 4 | 1 | drop | 100 (mM) | ||
| 5 | 1 | drop | Tris-HCl | 20 (mM) | pH8.0 |
| 6 | 1 | drop | protein | 10 (mg/ml) |
