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 |