1Q84
Crystal structure of the mouse acetylcholinesterase-TZ2PA6 anti complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-12-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.272, 111.765, 227.171 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 * - 2.450 |
| R-factor | 0.18487 |
| Rwork | 0.184 |
| R-free | 0.21400 * |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1j06 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 * | |
| High resolution limit [Å] | 2.450 | |
| Rmerge | 0.057 * | 0.435 * |
| Total number of observations | 549476 * | |
| Number of reflections | 74834 | |
| <I/σ(I)> | 9.3 | |
| Completeness [%] | 99.8 | 99.7 * |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.75 | 4 * | 25-32% PEG 600, 20-100 mM Hepes, pH 6.75, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG600 | 25-32 (%(v/v)) | |
| 2 | 1 | reservoir | HEPES | 20-100 (mM) | pH6.0-7.5 |
