1ZKL
Multiple Determinants for Inhibitor Selectivity of Cyclic Nucleotide Phosphodiesterases
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Wavelength(s) | 1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 115.751, 115.751, 64.290 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.500 - 1.670 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.100 |
| 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] | 39.500 | 1.730 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Number of reflections | 57579 | |
| <I/σ(I)> | 13.2 | 2.5 |
| Completeness [%] | 99.6 | 96.2 |
| Redundancy | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.6 - 0.8 M (NH4)2SO4, 2.5 - 5 mM mercaptoethanol, 10 mM EDTA, 0.1 M Tris HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
