3ZLU
Crystal structure of mouse acetylcholinesterase in complex with cyclosarin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-03 |
| Detector | CCDCHESS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.987, 113.519, 227.508 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.333 - 2.600 |
| R-factor | 0.1763 |
| Rwork | 0.175 |
| R-free | 0.21710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j06 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.139 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.020 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.070 | 0.500 |
| Number of reflections | 64575 | |
| <I/σ(I)> | 22 | 5 |
| Completeness [%] | 99.3 | 99.1 |
| Redundancy | 6.7 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
