2WLS
Crystal structure of Mus musculus Acetylcholinesterase in complex with AMTS13
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-01-28 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.480, 110.305, 227.604 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.037 - 2.600 |
R-factor | 0.1859 |
Rwork | 0.185 |
R-free | 0.22610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.133 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.000 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.080 | 0.520 |
Number of reflections | 61580 | |
<I/σ(I)> | 17.2 | 4.4 |
Completeness [%] | 99.8 | 100 |
Redundancy | 7.3 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | pH 7 |