5E2I
Acetylcholinesterase Methylene Blue no PEG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9394 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 112.609, 112.609, 136.871 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.620 - 2.650 |
| R-factor | 0.19655 |
| Rwork | 0.195 |
| R-free | 0.22586 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w91 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.291 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.900 | 2.790 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.111 | 0.400 |
| Number of reflections | 29664 | |
| <I/σ(I)> | 4.5 | 1.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.4 | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 30% PEG200 (v/v) in 100 mM NaCl/1 mM MES, pH 5.6 |
