3N3Z
Crystal structure of PDE9A (E406A) mutant in complex with IBMX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 104.090, 104.090, 270.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.330 - 2.750 |
| R-factor | 0.20242 |
| Rwork | 0.201 |
| R-free | 0.22988 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hd1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.330 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.117 | 0.590 |
| Number of reflections | 36568 | |
| <I/σ(I)> | 15 | 4.3 |
| Completeness [%] | 92.6 | 98.9 |
| Redundancy | 7.4 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 2.0M Na Formate, 0.1M HEPES pH7.5, 5% xylitol, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
