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) |