2CEK
Conformational Flexibility in the Peripheral Site of Torpedo californica Acetylcholinesterase Revealed by the Complex Structure with a Bifunctional Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-10 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 111.940, 111.940, 137.120 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.175 |
| Rwork | 0.175 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ea5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.330 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.060 | 0.390 |
| Number of reflections | 50867 | |
| <I/σ(I)> | 16.18 | 3.36 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.92 | 4.98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 277 | 32% PEG200, 150MM MES, PH6.0, 4DEG. C. 12 HOURS OF SOAKING WITH A PUTATIVE ANTI-ALZHEIMER DRUG. |
