4HJF
EAL domain of phosphodiesterase PdeA in complex with c-di-GMP and Ca++
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97886 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.202, 63.186, 66.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.217 - 1.750 |
| R-factor | 0.17007 |
| Rwork | 0.168 |
| R-free | 0.21394 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s83 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.986 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.077 | 0.540 |
| Number of reflections | 26885 | |
| <I/σ(I)> | 38.8 | 3.28 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.7 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MES, 25% PEG 6000, 0,1 uM c-di-GMP, 1 mM CaCl2, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
