4BC0
Structure of mouse acetylcholinesterase inhibited by CBDP (12-h soak) : Cresyl-phosphoserine adduct
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 | 2010-04-15 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 136.940, 174.040, 225.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.615 - 3.350 |
| R-factor | 0.1631 |
| Rwork | 0.162 |
| R-free | 0.20760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a16 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.482 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.600 | 3.400 |
| High resolution limit [Å] | 3.350 | 3.350 |
| Rmerge | 0.080 | 0.580 |
| Number of reflections | 75488 | |
| <I/σ(I)> | 16.2 | 2.8 |
| Completeness [%] | 96.6 | 98.6 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 0.1 M TRIS HCL BUFFER PH 7.4, 1.6 M AMMONIUM SULFATE |
