1DX6
STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH (-)-GALANTHAMINE AT 2.3A RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-11-03 |
| Detector | R-AXIS IIC |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 111.234, 111.234, 136.967 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.070 - 2.300 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ace |
| RMSD bond length | 0.018 |
| RMSD bond angle | 24.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (0.9) |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.100 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.077 | 0.387 |
| Total number of observations | 215846 * | |
| Number of reflections | 43422 | |
| <I/σ(I)> | 7.2 | |
| Completeness [%] | 99.0 | 97.1 |
| Redundancy | 3.1 | 1.84 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | other * | 5.8 | 277 | Raves, M.L., (1997) Nat. Struct. Biol., 4, 57. * |
