4BDT
Human acetylcholinesterase in complex with huprine W and fasciculin 2
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 | 2009-06-19 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 151.600, 151.600, 246.400 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 57.934 - 3.104 |
| R-factor | 0.1621 |
| Rwork | 0.159 |
| R-free | 0.21890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x8b |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.291 |
| 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] | 58.000 | 3.200 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.090 | 0.660 |
| Number of reflections | 19677 | |
| <I/σ(I)> | 16 | 3 |
| Completeness [%] | 98.1 | 93.7 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 0.1 M HEPES BUFFER PH 7.4, 1.3 M AMMONIUM SULFATE |
