6HQ4
Structure of EAL enzyme Bd1971 - cAMP 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 | 82.380, 82.380, 131.320 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 65.660 - 2.630 |
| R-factor | 0.2426 |
| Rwork | 0.240 |
| R-free | 0.28630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | using full length model |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.075 |
| 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] | 65.660 | 65.660 | 2.700 |
| High resolution limit [Å] | 2.630 | 11.760 | 2.630 |
| Rmerge | 0.048 | 0.023 | 0.926 |
| Rmeas | 0.055 | 0.026 | 1.061 |
| Rpim | 0.027 | 0.013 | 0.514 |
| Total number of observations | 117749 | ||
| Number of reflections | 29505 | 328 | 2191 |
| <I/σ(I)> | 14.3 | ||
| Completeness [%] | 99.5 | 98.6 | 99.8 |
| Redundancy | 4 | 4 | 4.2 |
| CC(1/2) | 0.999 | 0.999 | 0.616 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 291 | 0.2M Mg Formate pH 5.7 20% w/v PEG 3350 2.5mM cAMP |
