6G1U
Crystal structure of Torpedo Californica acetylcholinesterase in complex with 9-Amino-6-chloro-1,2,3,4-tetrahydro-10-methylacridin-10-ium
Replaces: 6FOTExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-17 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 91.431, 106.600, 150.533 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.720 - 1.790 |
| R-factor | 0.181 |
| Rwork | 0.180 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xi4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.853 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.715 | 1.850 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.067 | 0.943 |
| Number of reflections | 138453 | |
| <I/σ(I)> | 12.9 | 1.5 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 4.6 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 30% PEG 200/50 mM MES pH 6.0 |
