3ZV7
Torpedo californica Acetylcholinesterase Inhibition by Bisnorcymserine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-03-30 |
Detector | MARRESEARCH |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 111.008, 111.008, 137.387 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.210 - 2.260 |
R-factor | 0.206 |
Rwork | 0.206 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ea5 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.210 | 2.290 |
High resolution limit [Å] | 2.260 | 2.260 |
Rmerge | 0.120 | 0.390 |
Number of reflections | 45813 | |
<I/σ(I)> | 5.9 | 1.1 |
Completeness [%] | 99.0 | 30.2 |
Redundancy | 7.8 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 277 | 100 MM MES PH 6.0, 44% PEG200, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K |