2VJD
Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset C at 150K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 150 |
Detector technology | CCD |
Collection date | 2006-09-21 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.980, 107.540, 151.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.990 - 2.300 |
R-factor | 0.196 |
Rwork | 0.196 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w75 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | CNS |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.090 | 0.420 |
Number of reflections | 59320 | |
<I/σ(I)> | 14.1 | 4.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 277 | 32% PEG200, 150MM MES, PH6, 4 DEG. C. 2 HOURS SOAKING IN MOTHER LIQUOR SOLUTION CONTAINING 0.5 MM OTMA, pH 6.0 |