4PQE
Crystal Structure of Human Acetylcholinesterase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 31 1 2 |
| Unit cell lengths | 125.307, 125.307, 131.396 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.900 |
| R-factor | 0.18684 |
| Rwork | 0.185 |
| R-free | 0.21811 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lii |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.179 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.049 | 0.050 |
| Number of reflections | 26326 | |
| <I/σ(I)> | 17.7 | 4.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.9 | 10.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1M Imidazol pH=7, 12% PEG 20000, 0.5% Ethyl Acetate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
