6EZG
Torpedo californica AChE in complex with indolic multi-target directed ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-06-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.03 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.711, 106.996, 150.494 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.420 - 2.200 |
R-factor | 0.1922 |
Rwork | 0.190 |
R-free | 0.23710 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.998 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.420 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 73468 | |
<I/σ(I)> | 10.8 | |
Completeness [%] | 97.0 | |
Redundancy | 4.51 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 277 | 36% PEG 200 150mM MES pH 5.8 |