2C0P
Aged form of mouse acetylcholinesterase inhibited by tabun
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 | 2005-03-08 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.020, 110.880, 226.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.820 - 2.500 |
R-factor | 0.183 |
Rwork | 0.182 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.377 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.000 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.070 | 0.510 |
Number of reflections | 69074 | |
<I/σ(I)> | 17.6 | 7.5 |
Completeness [%] | 99.3 | 99 |
Redundancy | 7.4 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 27-31 % (V/V) PEG750MME, 0.1M HEPES PH 7.0 |