3TVX
The structure of PDE4A with pentoxifylline at 2.84A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-20 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 104.938, 104.938, 163.652 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.400 - 2.840 |
| R-factor | 0.22388 |
| Rwork | 0.220 |
| R-free | 0.28951 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i8v |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.003 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.400 | 2.940 |
| High resolution limit [Å] | 2.840 | 2.840 |
| Rmerge | 0.068 | 0.578 |
| Number of reflections | 22313 | |
| <I/σ(I)> | 34.4 | 4.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.6 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.25 | 293 | 2ul of 34mg/ml protein in HEPES pH 7.5 150mM NaCl, 5mM DTT with 2ul of 1.5mM Ammonium sulfate, 0.1 M Bis/Tris propane , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
