5FOQ
Acetylcholinesterase in complex with C7653
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-26 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.020, 111.770, 227.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.978 - 2.300 |
R-factor | 0.1922 |
Rwork | 0.192 |
R-free | 0.22190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.069 |
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] | 29.700 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.060 | 0.410 |
Number of reflections | 89319 | |
<I/σ(I)> | 14.5 | 2.1 |
Completeness [%] | 99.1 | 96.4 |
Redundancy | 5 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | PH 7.0 |