2WHR
Crystal structure of acetylcholinesterase in complex with K027
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-02 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.320, 111.410, 226.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.809 - 2.545 |
| R-factor | 0.1708 |
| Rwork | 0.170 |
| R-free | 0.21920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j06 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.921 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.800 | 2.700 |
| High resolution limit [Å] | 2.600 | 2.540 |
| Rmerge | 0.060 | 0.290 |
| Number of reflections | 64776 | |
| <I/σ(I)> | 27.1 | 7.2 |
| Completeness [%] | 98.0 | 87.7 |
| Redundancy | 7.2 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 26-30 % (V/V) PEG750MME, 0.1 M HEPES PH 7.0 |
