2JEY
Mus musculus acetylcholinesterase in complex with HLo-7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-10-29 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.670, 108.450, 220.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.880 - 2.700 |
R-factor | 0.207 |
Rwork | 0.206 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.601 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.880 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.110 | 0.490 |
Number of reflections | 51435 | |
<I/σ(I)> | 16 | 4.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.6 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 27-30 & PEG750MME, 0.1 M HEPES PH 7.0 |