5FKJ
Crystal structure of mouse acetylcholinesterase in complex with C-547, an alkyl ammonium derivative of 6-methyl uracil
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 137.150, 175.450, 224.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 94.524 - 3.133 |
| R-factor | 0.2078 |
| Rwork | 0.207 |
| R-free | 0.24940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a16 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.847 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.720 | 3.240 |
| High resolution limit [Å] | 3.130 | 3.130 |
| Rmerge | 0.140 | 0.840 |
| Number of reflections | 95147 | |
| <I/σ(I)> | 10.69 | 1.57 |
| Completeness [%] | 99.0 | 97 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 0.1 M BICINE BUFFER PH 9, 1.6 M AMMONIUM SULFATE |
