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. * |