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 |