6HQ5
Structure of EAL Enzyme Bd1971 - cAMP and cyclic-di-GMP bound form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 31 |
| Unit cell lengths | 83.857, 83.857, 138.454 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 64.310 - 2.830 |
| R-factor | 0.2248 |
| Rwork | 0.223 |
| R-free | 0.26800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | used full length model |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.073 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 64.310 | 64.310 | 3.060 |
| High resolution limit [Å] | 2.830 | 7.490 | 2.830 |
| Rmerge | 0.063 | 0.036 | 0.538 |
| Rmeas | 0.074 | 0.042 | 0.620 |
| Rpim | 0.037 | 0.021 | 0.306 |
| Total number of observations | 103343 | ||
| Number of reflections | 25916 | 1400 | 5376 |
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 99.7 | 99.5 | 99.6 |
| Redundancy | 4 | 4 | 4 |
| CC(1/2) | 0.998 | 0.997 | 0.777 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 2mM cAMP 10mM CaCl2 0.1M MES pH 6.5 0.2M Na Acetate 15% w/v PEG 8000 |
