3GEL
O-Methylphosphorylated Torpedo Acetylcholinesterase Obtained by Reaction with Methyl Paraoxon (AGED)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-15 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 111.726, 111.726, 136.853 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.930 - 2.390 |
| R-factor | 0.21169 |
| Rwork | 0.210 |
| R-free | 0.23995 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ace |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.914 |
| Data reduction software | SAINT |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.530 | 2.480 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Number of reflections | 35608 | |
| <I/σ(I)> | 23.75 | 6.36 |
| Completeness [%] | 94.6 | 100 |
| Redundancy | 21.27 | 20.67 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 277.15 | 18% Peg 200, 0.1 M MES, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |
