2FM0
Crystal structure of PDE4D in complex with L-869298
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 2003-11-11 |
| Detector | SDMS |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 99.511, 112.176, 160.174 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.223 |
| Rwork | 0.223 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | unliganded PDE4D |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.190 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.490 |
| Number of reflections | 121450 | |
| <I/σ(I)> | 12.5 | 3.5 |
| Completeness [%] | 99.8 | 99 |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1 M HEPES (pH 7.5), 15% PEG3350, 25% ethylene glycol, 5% isopropanol, and 5% glycerol at 4oC, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
