6G1V
Crystal structure of Torpedo Californica acetylcholinesterase in complex with 12-Amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium
Replaces: 6FOUExperimental 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 | 2015-04-29 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9801 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 91.740, 106.440, 150.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.030 - 1.820 |
| R-factor | 0.189 |
| Rwork | 0.188 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xi4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.820 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.030 | 1.890 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.075 | 1.054 |
| Number of reflections | 130469 | |
| <I/σ(I)> | 12.6 | |
| Completeness [%] | 98.4 | 91.8 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 30% PEG 200/50 mM MES pH 6.0 |
