4Z07
Co-crystal structure of the tandem CNB (CNB-A/B) domains of human PKG I beta with cGMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2012-06-24 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.03320 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 73.239, 202.978, 134.551 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.620 - 2.500 |
| R-factor | 0.1654 |
| Rwork | 0.162 |
| R-free | 0.22370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 3OD0 4ku7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.141 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.564 | |
| Number of reflections | 35106 | |
| <I/σ(I)> | 14.9 | 2 |
| Completeness [%] | 99.2 | 98.9 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 0.2 M ammonium sulfate, 17.5% PEG 8000 (w/v), 10% Isopropanol, 0.1 M HEPES, pH 8.0 |
